Molecule ID: 4139109

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

Description: The molecule is conjugate base of imidazol-4-ylacetic acid; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of an imidazol-4-ylacetic acid.

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

SELFIES: [O][=C][Branch1][C][O-1][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)/p-1

Molecular Properties:
- Polar Surface Area: 68.8 Ų
- LogP: 0.2