Molecular Identity
beta-alanine
3-aminopropanoic acid
PubChem CID: 239
Beta-alanine is a naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position. It has a role as a neurotransmitter, an inhibitor, an agonist, a human metabolite and a fundamental metabolite. It is a conjugate acid of a beta-alaninate. It is a tautomer of a beta-alanine zwitterion.
2D Structure
Properties
C3H7NO2
Molecular Formula
89.09
Molecular Weight
g/mol
89.0477
Exact Mass
Da
-3
XLogP
Drug-like (Lipinski: < 5)
63.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
52
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
beta-alanine3-Aminopropanoic acid107-95-93-Aminopropionic acidAbufeneBeta Alaninebeta-Aminopropionic acid2-Carboxyethylamineomega-Aminopropionic acid3-AminopropanoateFEMA No. 325211P2JDE17BNSC-7603DTXSID0030823CHEBI:16958
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to beta-alanine
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