Molecule ID: 5460948

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

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

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

SELFIES: [N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][O-1]

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: 94.8 Ų
- LogP: -2.6