Molecule ID: 793

IUPAC Name: 2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid

Description: The molecule is a 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group. It has a role as a metabolite, a human metabolite and an Escherichia coli metabolite. It is a 2-hydroxy monocarboxylic acid and a member of imidazoles. It derives from a 2-hydroxypropanoic acid. It is a conjugate acid of a 3-(imidazol-5-yl)lactate.

SMILES: O=C(O)C(O)Cc1cnc[nH]1

SELFIES: [O][=C][Branch1][C][O][C][Branch1][C][O][C][C][=C][N][=C][NH1][Ring1][Branch1]

InChI: InChI=1S/C6H8N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3,5,9H,1H2,(H,7,8)(H,10,11)

Molecular Properties:
- Polar Surface Area: 86.2 Ų
- LogP: -0.7