Molecule ID: 6992102

IUPAC Name: (2S)-2-acetamido-5-azaniumylpentanoate

Description: The molecule is an amino acid zwitterion of N(2)-acetyl-L-ornithine arising from migration of a proton from the carboxy group to the epsilon-amino group; major species at pH 7.3. It has a role as an Escherichia coli metabolite and a human metabolite. It is a tautomer of a N(2)-acetyl-L-ornithine.

SMILES: CC(O)=N[C@@H](CCCN)C(=O)O

SELFIES: [C][C][Branch1][C][O][=N][C@@H1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 96.9 Ų
- LogP: -4.2