Molecule ID: 656979

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

Description: The molecule is the L-enantiomer of N-acetylcitrulline. It is a N-acetylcitrulline and a N-acetyl-L-amino acid. It derives from a L-citrulline. It is a conjugate acid of a N-acetyl-L-citrullinate.

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

SELFIES: [C][C][Branch1][C][O][=N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: -2.3