3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid

C14H15ClFNO5S — CID 168674932

IUPAC3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)cc1)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C14H15ClFNO5S/c15-11-3-1-9(2-4-11)5-12(14(19)20)17-7-10(6-13(17)18)8-23(16,21)22/h1-4,10,12H,5-8H2,(H,19,20)
InChIKeyFZHXEPAGKKJDCG-UHFFFAOYSA-N
MW363.79 g/mol
LogP1.48
Rot. Bonds6

About 3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid

3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid (PubChem CID 168674932) has the molecular formula C14H15ClFNO5S and a molecular weight of 363.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
PubChem CID168674932
Molecular FormulaC14H15ClFNO5S
Molecular Weight363.79 g/mol
Exact Mass363.03
IUPAC Name3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)cc1)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C14H15ClFNO5S/c15-11-3-1-9(2-4-11)5-12(14(19)20)17-7-10(6-13(17)18)8-23(16,21)22/h1-4,10,12H,5-8H2,(H,19,20)
InChIKeyFZHXEPAGKKJDCG-UHFFFAOYSA-N
XLogP1.48
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-(4-fluorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168675004
3-(4-fluorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674933
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-(4-iodophenyl)propanoic acid
CID 168674934
3-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168713336
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 168698995
3-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)propanoic acid
CID 168701665
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxypropanoic acid
CID 168674925
(2S)-3-(2-bromophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168675007
methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate
CID 168674837
6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168674969
(2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-(4-fluorophenyl)propanoic acid
CID 168659021
(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid
CID 168675018

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid (CID 168674932) is 3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid is O=C(O)C(Cc1ccc(Cl)cc1)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of 3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid?
The InChIKey is FZHXEPAGKKJDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO5S/c15-11-3-1-9(2-4-11)5-12(14(19)20)17-7-10(6-13(17)18)8-23(16,21)22/h1-4,10,12H,5-8H2,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid?
3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid has a molecular weight of 363.79 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 168674932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).