Molecule ID: 66789

IUPAC Name: (2S)-2-acetamido-3-methylbutanoic acid

Description: The molecule is an L-valine derivative in which one of the amino hydrogens of L-valine has been replaced by an acetyl group. It is a N-acetyl-L-amino acid and a L-valine derivative. It is a conjugate acid of a N-acetyl-L-valinate.

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

SELFIES: [C][C][Branch1][C][O][=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)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 0.0