Molecule ID: 75619

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

Description: The molecule is a histidine derivative that is L-histidine having an acetyl substituent on the alpha-nitrogen. It has a role as an animal metabolite. It is a L-histidine derivative, a N-acetylhistidine and a N-acetyl-L-amino acid. It is a conjugate acid of a N-acetyl-L-histidinate.

SMILES: CC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O

SELFIES: [C][C][Branch1][C][O][=N][C@@H1][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)/t7-/m0/s1

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