Molecule ID: 68360929

IUPAC Name: (2S)-2-amino-3-[4-(3-methylbut-2-enoxy)phenyl]propanoic acid

Description: The molecule is an L-tyrosine derivative in which the phenolic hydrogen is replaced by a dimethylallyl group. It is a tautomer of a 4-O-dimethylallyl-L-tyrosine zwitterion.

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: 72.6 Ų
- LogP: 0.4