(αS)-α-Methyl-4-[(2-methyl-2-propen-1-yl)amino]benzeneacetic acid (CHEM099490)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 10:46:12 UTC | ||||||||
| Update Date | 2026-04-05 10:46:12 UTC | ||||||||
| Accession Number | CHEM099490 | ||||||||
| Identification | |||||||||
| Common Name | (αS)-α-Methyl-4-[(2-methyl-2-propen-1-yl)amino]benzeneacetic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | (αS)-α-Methyl-4-[(2-methyl-2-propen-1-yl)amino]benzeneacetic acid belongs to the phenylpropanoic acids, a class of phenylpropanoids and polyketides within the organic compounds. It has the chemical formula C13H17NO2 and an average molecular weight of 219.28 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H17NO2 | ||||||||
| Average Molecular Mass | 219.284 g/mol | ||||||||
| Monoisotopic Mass | 219.126 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2S)-2-{4-[(2-Methylprop-2-en-1-yl)amino]phenyl}propanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C(O)=O)C1=CC=C(NCC(C)=C)C=C1 | ||||||||
| InChI Identifier | InChI=1S/C13H17NO2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16)/t10-/m0/s1 | ||||||||
| InChI Key | FPHLBGOJWPEVME-JTQLQIEISA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Phenylpropanoids and polyketides | ||||||||
| Class | Phenylpropanoic acids | ||||||||
| Sub Class | Not Available | ||||||||
| Direct Parent | Phenylpropanoic acids | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aromatic homomonocyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 69305006 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
