Molecule ID: 6992098

IUPAC Name: (2S)-2-azaniumyl-5-(carbamoylamino)pentanoate

Description: The molecule is zwitterionic form of L-citrulline having an anionic carboxy group and a protonated amino group; major species at pH 7.3. It has a role as a human metabolite, an Escherichia coli metabolite, a plant metabolite and a Daphnia magna metabolite. It is a tautomer of a L-citrulline.

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: 123.0 Ų
- LogP: -3.6