1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid

C13H17NO2 — CID 79424921

IUPAC1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CCc2ccccn2)CCCC1
InChIInChI=1S/C13H17NO2/c15-12(16)13(7-2-3-8-13)9-6-11-5-1-4-10-14-11/h1,4-5,10H,2-3,6-9H2,(H,15,16)
InChIKeyGMNBLNCYZJZXEA-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.66
Rot. Bonds4

About 1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid

1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid (PubChem CID 79424921) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
PubChem CID79424921
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CCc2ccccn2)CCCC1
InChIInChI=1S/C13H17NO2/c15-12(16)13(7-2-3-8-13)9-6-11-5-1-4-10-14-11/h1,4-5,10H,2-3,6-9H2,(H,15,16)
InChIKeyGMNBLNCYZJZXEA-UHFFFAOYSA-N
XLogP2.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid
CID 79428498
1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435618
1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone
CID 106796916
1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446334
1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436694
1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid
CID 81166918
1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451209
1-(pyridin-2-ylmethylamino)cyclopentane-1-carboxylic acid
CID 71565011
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 55179316
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 111573294
1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991
1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16783827

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid (CID 79424921) is 1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid is O=C(O)C1(CCc2ccccn2)CCCC1.
What is the InChIKey of 1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid?
The InChIKey is GMNBLNCYZJZXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12(16)13(7-2-3-8-13)9-6-11-5-1-4-10-14-11/h1,4-5,10H,2-3,6-9H2,(H,15,16).
What are the key properties of 1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid?
1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79424921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).