Molecule ID: 42254104

IUPAC Name: 2-(2-methylpropanoylamino)acetate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of N-isobutyrylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a human urinary metabolite. It is a N-acylglycinate and a monocarboxylic acid anion. It is a conjugate base of a N-isobutyrylglycine.

SMILES: CC(C)C(O)=NCC(=O)[O-]

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

InChI: InChI=1S/C6H11NO3/c1-4(2)6(10)7-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)/p-1

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: 0.8