Molecular Identity
4-phenylbutyrate
4-phenylbutanoate
PubChem CID: 22053264
4-phenylbutyrate is a carboxylic acid anion obtained by the removal of proton from the carboxy group of 4-phenylbutyric acid. It is a conjugate base of a 4-phenylbutyric acid.
2D Structure
Properties
C10H11O2-
Molecular Formula
163.19
Molecular Weight
g/mol
163.0759
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
40.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
131
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(11)
4-phenylbutyrate4-phenylbutanoateCHEBI:75317RefChem:912785BDBM36184OBKXEAXTFZPCHS-UHFFFAOYSA-MAKOS024437455NCGC00263631-04AB01275463-01AB01275463_02Q27145211
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 4-phenylbutyrate
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