2-cyclopentyl-2-thiophen-3-ylacetic acid

C11H14O2S — CID 12577572

IUPAC2-cyclopentyl-2-thiophen-3-ylacetic acid
SMILESO=C(O)C(c1ccsc1)C1CCCC1
InChIInChI=1S/C11H14O2S/c12-11(13)10(8-3-1-2-4-8)9-5-6-14-7-9/h5-8,10H,1-4H2,(H,12,13)
InChIKeyJPDLAPLLTCRXFL-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.11
Rot. Bonds3

About 2-cyclopentyl-2-thiophen-3-ylacetic acid

2-cyclopentyl-2-thiophen-3-ylacetic acid (PubChem CID 12577572) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-cyclopentyl-2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-thiophen-3-ylacetic acid
PubChem CID12577572
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2-cyclopentyl-2-thiophen-3-ylacetic acid
SMILESO=C(O)C(c1ccsc1)C1CCCC1
InChIInChI=1S/C11H14O2S/c12-11(13)10(8-3-1-2-4-8)9-5-6-14-7-9/h5-8,10H,1-4H2,(H,12,13)
InChIKeyJPDLAPLLTCRXFL-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-thiophen-3-ylacetic acid?
The IUPAC name of 2-cyclopentyl-2-thiophen-3-ylacetic acid (CID 12577572) is 2-cyclopentyl-2-thiophen-3-ylacetic acid.
What is the SMILES notation for 2-cyclopentyl-2-thiophen-3-ylacetic acid?
The canonical SMILES for 2-cyclopentyl-2-thiophen-3-ylacetic acid is O=C(O)C(c1ccsc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-thiophen-3-ylacetic acid?
The InChIKey is JPDLAPLLTCRXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c12-11(13)10(8-3-1-2-4-8)9-5-6-14-7-9/h5-8,10H,1-4H2,(H,12,13).
What are the key properties of 2-cyclopentyl-2-thiophen-3-ylacetic acid?
2-cyclopentyl-2-thiophen-3-ylacetic acid has a molecular weight of 210.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-thiophen-3-ylacetic acid is sourced from PubChem (CID 12577572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).