COMPUTED DESCRIPTORS
Molecular Weight | 281.35 g/mol |
---|---|
XLogP3 | -0.8 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 9 |
Exact Mass | 281.16270821 g/mol |
Monoisotopic Mass | 281.16270821 g/mol |
Topological Polar Surface Area | 78.8 Ų |
Heavy Atom Count | 20 |
Formal Charge | 0 |
Complexity | 275 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid 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.