Molecule ID: 3651721

IUPAC Name: 2-azaniumyl-3-(1H-imidazol-3-ium-5-yl)propanoate

Description: The molecule is an alpha-amino-acid cation. It is a conjugate base of a histidinium(2+). It is a conjugate acid of a histidine.

SMILES: [NH3+]C(Cc1cnc[nH]1)C(=O)O

SELFIES: [NH3+1][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1

Molecular Properties:
- Polar Surface Area: 97.7 Ų
- LogP: -2.4