Molecule ID: 96215

IUPAC Name: 2-(1H-imidazol-5-yl)acetic acid

Description: The molecule is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-4-yl group. It has a role as a mouse metabolite. It is a monocarboxylic acid and a member of imidazoles. It derives from an acetic acid. It is a conjugate acid of an imidazol-4-ylacetate. It is a tautomer of an imidazol-5-ylacetic acid and a 2H-imidazol-4-ylacetic acid.

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

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

InChI: InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)

Molecular Properties:
- Polar Surface Area: 66.0 Ų
- LogP: -0.4