Molecule ID: 301593

IUPAC Name: methyl 2-acetamido-3-methylbutanoate

Description: The molecule is a valine derivative with one of the amine hydrogens replaced by an acetyl group and the carboxylic acid hydrogen replaced by a methyl group. It has a role as a metabolite.

SMILES: COC(=O)C(N=C(C)O)C(C)C

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

InChI: InChI=1S/C8H15NO3/c1-5(2)7(8(11)12-4)9-6(3)10/h5,7H,1-4H3,(H,9,10)

Molecular Properties:
- Polar Surface Area: 55.4 Ų
- LogP: 0.4