Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-, disodium salt (CHEM010018)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 03:15:17 UTC
Update Date2016-11-09 01:14:07 UTC
Accession NumberCHEM010018
Identification
Common NameGlycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-, disodium salt
ClassSmall Molecule
DescriptionAn amino dicarboxylic acid that is glycine in which both hydrogens attached to the nitrogen is substituted by a carboxymethyl group and a 2-hydroxyethyl group.
Contaminant Sources
  • HPV EPA Chemicals
  • STOFF IDENT Compounds
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
(2-Hydroxyethyl)iminobisacetic acidChEBI
(2-Hydroxyethyl)iminodiacetic acidChEBI
(Hydroxyethylimino)diacetic acidChEBI
2,2'-[(2-Hydroxyethyl)azanediyl]diacetic acidChEBI
2-[Carboxymethyl(2-hydroxyethyl)amino]acetic acidChEBI
2-Hydroxyethylamino diacetic acidChEBI
Ethanolamine-N,N-diacetic acidChEBI
HEIDAChEBI
Hydroxyethylnitrilodiacetic acidChEBI
N,N-Bis(carboxymethyl)ethanolamineChEBI
N-(2-Hydroxyethyl)imidodiacetic acidChEBI
N-(2-Hydroxyethyl)iminobisacetic acidChEBI
N-(beta-Hydroxyethyl)iminodiacetic acidChEBI
N-(Carboxymethyl)-N-(2-hydroxyethyl)glycineChEBI
(2-Hydroxyethyl)iminobisacetateGenerator
(2-Hydroxyethyl)iminodiacetateGenerator
(Hydroxyethylimino)diacetateGenerator
2,2'-[(2-Hydroxyethyl)azanediyl]diacetateGenerator
2-[Carboxymethyl(2-hydroxyethyl)amino]acetateGenerator
2-Hydroxyethylamino diacetateGenerator
Ethanolamine-N,N-diacetateGenerator
HydroxyethylnitrilodiacetateGenerator
N-(2-Hydroxyethyl)imidodiacetateGenerator
N-(2-Hydroxyethyl)iminobisacetateGenerator
N-(b-Hydroxyethyl)iminodiacetateGenerator
N-(b-Hydroxyethyl)iminodiacetic acidGenerator
N-(beta-Hydroxyethyl)iminodiacetateGenerator
N-(Β-hydroxyethyl)iminodiacetateGenerator
N-(Β-hydroxyethyl)iminodiacetic acidGenerator
N-(2-Hydroxyethyl)iminodiacetateGenerator
N-(2-Hydroxyethyl)iminodiacetic acid, disodium saltMeSH
N-2-HEIDAAMeSH
2-[(Carboxymethyl)(2-hydroxyethyl)amino]acetateGenerator
Chemical FormulaC6H11NO5
Average Molecular Mass177.155 g/mol
Monoisotopic Mass177.064 g/mol
CAS Registry Number135-37-5
IUPAC Name2-[(carboxymethyl)(2-hydroxyethyl)amino]acetic acid
Traditional Nameheida
SMILESOCCN(CC(O)=O)CC(O)=O
InChI IdentifierInChI=1S/C6H11NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h8H,1-4H2,(H,9,10)(H,11,12)
InChI KeyJYXGIOKAKDAARW-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Dicarboxylic acid or derivatives
  • 1,2-aminoalcohol
  • Amino acid
  • Tertiary aliphatic amine
  • Tertiary amine
  • Alkanolamine
  • Carboxylic acid
  • Organic nitrogen compound
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Amine
  • Organopnictogen compound
  • Organic oxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility97.5 g/LALOGPS
logP-1.4ALOGPS
logP-4.3ChemAxon
logS-0.26ALOGPS
pKa (Strongest Acidic)2.4ChemAxon
pKa (Strongest Basic)7.44ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area98.07 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity38.45 m³·mol⁻¹ChemAxon
Polarizability16.21 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - GC-MS (3 TMS)splash10-0ugl-1950000000-2cfd0440fe0985f39b04Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0059-0900000000-a53f170dd5e61b684209Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-01qi-3900000000-24560cbca0398be1019eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9300000000-435a599456eb413cd61dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-cbed0611d4a094d90208Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0059-1900000000-9a3a64f3e57ab2bb88abSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0016-9400000000-50e77dc89f28b873232eSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI ID143268
PubChem Compound ID7152
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1.