Molecule ID: 65072

IUPAC Name: (2S)-2-amino-6-(carbamoylamino)hexanoic acid

Description: The molecule is a L-lysine derivative that is L-lysine having a carbamoyl group at the N(6)-position. It is found in individuals with urea cycle disorders. It has a role as a mouse metabolite and a human metabolite. It is a member of ureas, a L-lysine derivative and a non-proteinogenic L-alpha-amino acid. It is a tautomer of a L-homocitrulline zwitterion.

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

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

InChI: InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: -3.9