2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid

C16H27NO2 — CID 63069545

IUPAC2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1N1CCCC1C1CCCC1
InChIInChI=1S/C16H27NO2/c18-16(19)13-8-3-4-9-15(13)17-11-5-10-14(17)12-6-1-2-7-12/h12-15H,1-11H2,(H,18,19)
InChIKeyXMQNKIIRTKRPGG-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.28
Rot. Bonds3

About 2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid

2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 63069545) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID63069545
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1N1CCCC1C1CCCC1
InChIInChI=1S/C16H27NO2/c18-16(19)13-8-3-4-9-15(13)17-11-5-10-14(17)12-6-1-2-7-12/h12-15H,1-11H2,(H,18,19)
InChIKeyXMQNKIIRTKRPGG-UHFFFAOYSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
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CID 75987984
2-(2-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83061636
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid
CID 81206109
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)cyclopentane-1-carboxylic acid
CID 103343131
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclooctan-1-ol
CID 65319710
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid
CID 80997581
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)cycloheptane-1-carboxylic acid
CID 63066915
2-(3-hydroxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83821308
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cycloheptan-1-amine
CID 65321124
2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 140693285
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid (CID 63069545) is 2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1N1CCCC1C1CCCC1.
What is the InChIKey of 2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is XMQNKIIRTKRPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c18-16(19)13-8-3-4-9-15(13)17-11-5-10-14(17)12-6-1-2-7-12/h12-15H,1-11H2,(H,18,19).
What are the key properties of 2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 265.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63069545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).