2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid

C13H18O2S — CID 69039437

IUPAC2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid
SMILESCc1csc(C(C)(C(=O)O)C2CCCC2)c1
InChIInChI=1S/C13H18O2S/c1-9-7-11(16-8-9)13(2,12(14)15)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,14,15)
InChIKeySRXOWJKZAFGXFC-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.59
Rot. Bonds3

About 2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid

2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid (PubChem CID 69039437) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid
PubChem CID69039437
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid
SMILESCc1csc(C(C)(C(=O)O)C2CCCC2)c1
InChIInChI=1S/C13H18O2S/c1-9-7-11(16-8-9)13(2,12(14)15)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,14,15)
InChIKeySRXOWJKZAFGXFC-UHFFFAOYSA-N
XLogP3.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid?
The IUPAC name of 2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid (CID 69039437) is 2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid.
What is the SMILES notation for 2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid?
The canonical SMILES for 2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid is Cc1csc(C(C)(C(=O)O)C2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid?
The InChIKey is SRXOWJKZAFGXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-9-7-11(16-8-9)13(2,12(14)15)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid?
2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid has a molecular weight of 238.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid is sourced from PubChem (CID 69039437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).