Molecule ID: 13289

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

Description: The molecule is an L-tyrosine derivative that is the ethyl ester of N-acetyltyrosine. It is an ethyl ester, a member of acetamides, a member of phenols and a L-tyrosine derivative.

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

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

InChI: InChI=1S/C13H17NO4/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8H2,1-2H3,(H,14,15)/t12-/m0/s1

Molecular Properties:
- Polar Surface Area: 75.6 Ų
- LogP: 0.7