(2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid

C19H25ClO2S — CID 67188777

IUPAC(2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid
SMILESO=C(O)[C@H](CC1CCCC1)c1ccc(SC2CCCC2)c(Cl)c1
InChIInChI=1S/C19H25ClO2S/c20-17-12-14(9-10-18(17)23-15-7-3-4-8-15)16(19(21)22)11-13-5-1-2-6-13/h9-10,12-13,15-16H,1-8,11H2,(H,21,22)/t16-/m1/s1
InChIKeyWPCVUHFDXNURLU-MRXNPFEDSA-N
MW352.93 g/mol
LogP6.12
Rot. Bonds6

About (2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid

(2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid (PubChem CID 67188777) has the molecular formula C19H25ClO2S and a molecular weight of 352.93 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid
PubChem CID67188777
Molecular FormulaC19H25ClO2S
Molecular Weight352.93 g/mol
Exact Mass352.13
IUPAC Name(2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid
SMILESO=C(O)[C@H](CC1CCCC1)c1ccc(SC2CCCC2)c(Cl)c1
InChIInChI=1S/C19H25ClO2S/c20-17-12-14(9-10-18(17)23-15-7-3-4-8-15)16(19(21)22)11-13-5-1-2-6-13/h9-10,12-13,15-16H,1-8,11H2,(H,21,22)/t16-/m1/s1
InChIKeyWPCVUHFDXNURLU-MRXNPFEDSA-N
XLogP6.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.93
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoic acid;hydride
CID 173032720
3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid
CID 18626637
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol
CID 63835939
2-(3-chloro-4-methylsulfanylphenyl)-3-(3-oxocyclopentyl)propanoic acid
CID 73030887
3-amino-3-(3-chloro-4-cyclopropylsulfanylphenyl)propanoic acid
CID 117432355
1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone
CID 63114858
(2R)-3-cyclopentyl-2-[4-(sulfinomethyl)phenyl]propanoic acid
CID 174406760
methyl 3-cycloheptyl-2-(3,4-dichlorophenyl)propanoate
CID 46221151
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone
CID 55223975
1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine
CID 63532172
3-chloro-4-cyclohexylsulfanylbenzaldehyde
CID 81159217

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid?
The IUPAC name of (2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid (CID 67188777) is (2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid.
What is the SMILES notation for (2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid?
The canonical SMILES for (2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid is O=C(O)[C@H](CC1CCCC1)c1ccc(SC2CCCC2)c(Cl)c1.
What is the InChIKey of (2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid?
The InChIKey is WPCVUHFDXNURLU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25ClO2S/c20-17-12-14(9-10-18(17)23-15-7-3-4-8-15)16(19(21)22)11-13-5-1-2-6-13/h9-10,12-13,15-16H,1-8,11H2,(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid?
(2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid has a molecular weight of 352.93 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid is sourced from PubChem (CID 67188777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).