Molecule ID: 25201623

IUPAC Name: 2-azaniumyl-3-(1-methylimidazol-4-yl)propanoate

Description: The molecule is an alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 1-methylhistidine; major species at pH 7.3. It has a role as a human urinary metabolite. It is a tautomer of a 1-methylhistidine.

SMILES: Cn1cnc(CC(N)C(=O)O)c1

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

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

Molecular Properties:
- Polar Surface Area: 85.6 Ų
- LogP: -2.6