Molecule ID: 833

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

Description: The molecule is the parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position. It has a role as a hapten and a Daphnia magna metabolite. It is a conjugate acid of a citrullinate.

SMILES: N=C(O)NCCCC(N)C(=O)O

SELFIES: [N][=C][Branch1][C][O][N][C][C][C][C][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)

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