Molecule ID: 12877783

IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(trimethylazaniumyl)propanoate

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

SMILES: C[N+](C)(C)[C@@H](Cc1ccc(O)cc1)C(=O)[O-]

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

InChI: InChI=1S/C12H17NO3/c1-13(2,3)11(12(15)16)8-9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3,(H-,14,15,16)/t11-/m0/s1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 2.2