2-thiophen-2-ylcyclopentane-1-carboxylic acid

C10H12O2S — CID 81008433

IUPAC2-thiophen-2-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1cccs1
InChIInChI=1S/C10H12O2S/c11-10(12)8-4-1-3-7(8)9-5-2-6-13-9/h2,5-8H,1,3-4H2,(H,11,12)
InChIKeyBMXIXRZOLUQDCM-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.72
Rot. Bonds2

About 2-thiophen-2-ylcyclopentane-1-carboxylic acid

2-thiophen-2-ylcyclopentane-1-carboxylic acid (PubChem CID 81008433) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-thiophen-2-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-thiophen-2-ylcyclopentane-1-carboxylic acid
PubChem CID81008433
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name2-thiophen-2-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1cccs1
InChIInChI=1S/C10H12O2S/c11-10(12)8-4-1-3-7(8)9-5-2-6-13-9/h2,5-8H,1,3-4H2,(H,11,12)
InChIKeyBMXIXRZOLUQDCM-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-thiophen-2-ylcyclohexane-1-carboxylic acid
CID 79014995
(3S,4R)-4-thiophen-2-ylpyrrolidine-3-carboxylic acid
CID 96621498
2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 112716942
2-(2-thiophen-2-ylcyclohexyl)propanoic acid
CID 82243540
(2S,3S)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylic acid
CID 82394638
2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid
CID 130898178
(2-thiophen-2-ylcyclopentyl)methanamine
CID 81010672
2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid
CID 81008993
(2S,3S)-5-oxo-2-thiophen-2-yloxolane-3-carboxylic acid
CID 97034970
(2S,3R)-5-oxo-2-thiophen-2-yloxolane-3-carboxylic acid
CID 97034968
trans-(1R,2R)-2-[(thiophene-2-carbonylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 6544086
2-(thiophen-2-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 64816831

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-thiophen-2-ylcyclopentane-1-carboxylic acid (CID 81008433) is 2-thiophen-2-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-thiophen-2-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-thiophen-2-ylcyclopentane-1-carboxylic acid is O=C(O)C1CCCC1c1cccs1.
What is the InChIKey of 2-thiophen-2-ylcyclopentane-1-carboxylic acid?
The InChIKey is BMXIXRZOLUQDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c11-10(12)8-4-1-3-7(8)9-5-2-6-13-9/h2,5-8H,1,3-4H2,(H,11,12).
What are the key properties of 2-thiophen-2-ylcyclopentane-1-carboxylic acid?
2-thiophen-2-ylcyclopentane-1-carboxylic acid has a molecular weight of 196.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 81008433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).