Molecule ID: 25837691

IUPAC Name: (2S)-3-phenyl-2-(trimethylazaniumyl)propanoate

Description: The molecule is an L-phenylalanine derivative obtained by trimethylation of the amino function of L-phenylalanine. It is a phenylalanine betaine and a L-phenylalanine derivative. It is an enantiomer of a D-phenylalanine betaine.

SMILES: C[N+](C)(C)[C@@H](Cc1ccccc1)C(=O)[O-]

SELFIES: [C][N+1][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C12H17NO2/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 2.5