Molecule ID: 6971285

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

Description: The molecule is an amino acid zwitterion of N(alpha),N(alpha)-dimethyl-L-histidine having an anionic carboxy group and a protonated amino group. It is a tautomer of a N(alpha),N(alpha)-dimethyl-L-histidine.

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

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

InChI: InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 73.2 Ų
- LogP: -1.6