Molecule ID: 133620

IUPAC Name: 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid

Description: The molecule is a carboxylic acid that is 3-phenylpropanoic acid substituted at position 4 by a 2-hydroxy-3-(propan-2-ylamino)propoxy group. It is a carboxylic acid, a member of ethanolamines and a secondary amino compound.

SMILES: CC(C)NCC(O)COc1ccc(CCC(=O)O)cc1

SELFIES: [C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][O]

InChI: InChI=1S/C15H23NO4/c1-11(2)16-9-13(17)10-20-14-6-3-12(4-7-14)5-8-15(18)19/h3-4,6-7,11,13,16-17H,5,8-10H2,1-2H3,(H,18,19)

Molecular Properties:
- Polar Surface Area: 78.8 Ų
- LogP: -0.8