Molecule ID: 9750

IUPAC Name: (2S)-2-amino-5-(carbamoylamino)pentanoic acid

Description: The molecule is the L-enantiomer of citrulline. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor, a protective agent, a nutraceutical, a micronutrient, a human metabolite, an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is an enantiomer of a D-citrulline. It is a tautomer of a L-citrulline zwitterion.

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

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

InChI: InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: -4.3