Molecule ID: 5460943

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

Description: The molecule is the L-enantiomer of histidinium(1+). It has a role as an Escherichia coli metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a L-histidinium(2+). It is a conjugate acid of a L-histidine. It is an enantiomer of a D-histidinium(1+).

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

SELFIES: [NH3+1][C@@H1][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/t5-/m0/s1

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