Molecule ID: 273260

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

Description: The molecule is a histidine derivative that is histidine in which one of the hydrogens of the alpha-amino group is substituted by an acetyl group. It is a histidine derivative and a N-acetyl-amino acid.

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

SELFIES: [C][C][Branch1][C][O][=N][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)

Molecular Properties:
- Polar Surface Area: 95.1 Ų
- LogP: -0.7