Molecule ID: 20849025

IUPAC Name: 2-(3-methylbutanoylamino)acetate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of N-isovalerylglycine, 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-isovalerylglycine.

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

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

InChI: InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: 1.0