Molecule ID: 129285

IUPAC Name: (2S)-2-(3-methylbutanoylamino)propanoic acid

Description: The molecule is an N-acyl-L-alanine resulting from the formal condensation of carboxy group of isovaleric acid with the amino group of L-alanine. It has a role as a human blood serum metabolite. It derives from an isovaleric acid.

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

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

InChI: InChI=1S/C8H15NO3/c1-5(2)4-7(10)9-6(3)8(11)12/h5-6H,4H2,1-3H3,(H,9,10)(H,11,12)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 0.8