Molecule ID: 86289519

IUPAC Name: (2S)-2-azaniumyl-3-[4-(3-methylbut-2-enoxy)phenyl]propanoate

Description: The molecule is an amino acid zwitterion obtained by transfer of a proton from the amino to the carboxy group of 4-O-dimethylallyl-L-tyrosine; major species at pH 7.3. It is a tautomer of a 4-O-dimethylallyl-L-tyrosine.

SMILES: CC(C)=CCOc1ccc(C[C@H](N)C(=O)O)cc1

SELFIES: [C][C][Branch1][C][C][=C][C][O][C][=C][C][=C][Branch1][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][Ring1][N]

InChI: InChI=1S/C14H19NO3/c1-10(2)7-8-18-12-5-3-11(4-6-12)9-13(15)14(16)17/h3-7,13H,8-9,15H2,1-2H3,(H,16,17)/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 77.0 Ų
- LogP: 0.7