75535 <common-name>Beta-Aminobutyric acid</common-name> <description>Beta-Aminobutyric acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C4H9N1O2 and an average molecular weight of 103.12 g/mol.</description> <cas>619-10-3</cas> <pubchem-id>69264</pubchem-id> <chemical-formula>C4H9N1O2</chemical-formula> <weight>173.55</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-04T04:23:57Z</created-at> <updated-at type="dateTime">2026-08-23T10:10:23Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(N)CC(O)=O</moldb-smiles> <moldb-formula>C4H9N1O2</moldb-formula> <moldb-inchi>InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1</moldb-inchi> <moldb-inchikey>OQEBBZSWEGYTPG-UHFFFAOY-N</moldb-inchikey> <moldb-average-mass type="decimal">103.121</moldb-average-mass> <moldb-mono-mass type="decimal">103.063329</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>10469</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM071428</chemdb-id> <dsstox-id>DTXSID4040975</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00032974</susdat-id> <iupac>2-chloro-5-nitrophenol</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">1482</paper-count> <sync-id>CED0007378</sync-id> <structure-inchikey>OQEBBZSWEGYTPG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000000000000000000000001000000000000000000000000004000000000000000000000000000000000000000000010000000000000000000020000000000000000100000000000000002000010000000000000000000000000000000000000000000000000000000000000040000000000000000000040000001000000000000000000000000000042000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>200000060008000000000000000000000000040000002000400000000000000000008000000000000000000000042000800004000000004400008000008011000000000000400000200042010000000000400000020000000000000900002000000000000000000000502000002000801001046004111800000010000200440000040000000000000088000000100400024440000000040800000000000043000000000000000008000020001002c0000000000800000000000000000000000000040000000000020000400000000000000000400000000000080000000000080000000000004000000000000000000000004000200000000050000002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������(�������h��������(�������������������� ��(�B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:23:47Z</structure-indexed-at> </compound>