Molecule ID: 6971273

IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-(methylazaniumyl)propanoate

Description: The molecule is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N(alpha)-methyl-L-histidine. It is a tautomer of a N(alpha)-methyl-L-histidine.

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

SELFIES: [C][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 85.4 Ų
- LogP: -2.1