3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid

C13H18O2S — CID 65402318

IUPAC3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid
SMILESCC1CCC(CCc2ccsc2)(C(=O)O)C1
InChIInChI=1S/C13H18O2S/c1-10-2-5-13(8-10,12(14)15)6-3-11-4-7-16-9-11/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,15)
InChIKeyGRPMCXYJAHSPEY-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.57
Rot. Bonds4

About 3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid

3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid (PubChem CID 65402318) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid
PubChem CID65402318
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid
SMILESCC1CCC(CCc2ccsc2)(C(=O)O)C1
InChIInChI=1S/C13H18O2S/c1-10-2-5-13(8-10,12(14)15)6-3-11-4-7-16-9-11/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,15)
InChIKeyGRPMCXYJAHSPEY-UHFFFAOYSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid (CID 65402318) is 3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid is CC1CCC(CCc2ccsc2)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid?
The InChIKey is GRPMCXYJAHSPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-10-2-5-13(8-10,12(14)15)6-3-11-4-7-16-9-11/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,15).
What are the key properties of 3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid?
3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid has a molecular weight of 238.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 65402318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).