Molecule ID: 6950958

IUPAC Name: (2S)-2-acetamido-3-methylbutanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of N-acetyl-L-valine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a monocarboxylic acid anion and a N-acyl-L-alpha-amino acid anion. It is a conjugate base of a N-acetyl-L-valine.

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

SELFIES: [C][C][Branch1][C][O-1][=N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C]

InChI: InChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)/p-1/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: 0.7