Molecule ID: 65977

IUPAC Name: (2S)-2,5-diacetamidopentanoic acid

Description: The molecule is an N-acetyl-L-amino acid that is L-ornithine carrying two acetyl substituents at positions N-2 and N-5. It is a N-acetyl-L-amino acid and a L-ornithine derivative. It is a conjugate acid of a bisorcic(1-).

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

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

InChI: InChI=1S/C9H16N2O4/c1-6(12)10-5-3-4-8(9(14)15)11-7(2)13/h8H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 95.5 Ų
- LogP: -1.7