(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid

C15H17ClO5S — CID 21051846

IUPAC(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCCC2=O)C(=O)O)cc1Cl
InChIInChI=1S/C15H17ClO5S/c1-22(20,21)14-6-5-9(8-12(14)16)11(15(18)19)7-10-3-2-4-13(10)17/h5-6,8,10-11H,2-4,7H2,1H3,(H,18,19)/t10?,11-/m1/s1
InChIKeyPGXGGUSHFUXQHF-RRKGBCIJSA-N
MW344.82 g/mol
LogP2.67
Rot. Bonds5

About (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid

(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid (PubChem CID 21051846) has the molecular formula C15H17ClO5S and a molecular weight of 344.82 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid
PubChem CID21051846
Molecular FormulaC15H17ClO5S
Molecular Weight344.82 g/mol
Exact Mass344.05
IUPAC Name(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCCC2=O)C(=O)O)cc1Cl
InChIInChI=1S/C15H17ClO5S/c1-22(20,21)14-6-5-9(8-12(14)16)11(15(18)19)7-10-3-2-4-13(10)17/h5-6,8,10-11H,2-4,7H2,1H3,(H,18,19)/t10?,11-/m1/s1
InChIKeyPGXGGUSHFUXQHF-RRKGBCIJSA-N
XLogP2.67
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid?
The IUPAC name of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid (CID 21051846) is (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid.
What is the SMILES notation for (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid?
The canonical SMILES for (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid is CS(=O)(=O)c1ccc([C@@H](CC2CCCC2=O)C(=O)O)cc1Cl.
What is the InChIKey of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid?
The InChIKey is PGXGGUSHFUXQHF-RRKGBCIJSA-N. The full InChI is InChI=1S/C15H17ClO5S/c1-22(20,21)14-6-5-9(8-12(14)16)11(15(18)19)7-10-3-2-4-13(10)17/h5-6,8,10-11H,2-4,7H2,1H3,(H,18,19)/t10?,11-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid?
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid has a molecular weight of 344.82 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid is sourced from PubChem (CID 21051846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).