Molecule ID: 437593

IUPAC Name: methyl 2-amino-3-(1H-imidazol-5-yl)propanoate

Description: The molecule is an alpha-amino acid ester that is the methyl ester of histidine. It has a role as a metabolite. It is an alpha-amino acid ester, a histidine derivative and a methyl ester.

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

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

InChI: InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)

Molecular Properties:
- Polar Surface Area: 81.0 Ų
- LogP: -0.6