Molecule ID: 122164814

IUPAC Name: (2S)-2,5-diacetamidopentanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of bisorcic, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a bisorcic.

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

SELFIES: [C][C][Branch1][C][O-1][=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)/p-1/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 98.3 Ų
- LogP: -1.1