1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid

C13H17NO2 — CID 115008860

IUPAC1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid
SMILESCCc1cnccc1C1(C(=O)O)CCCC1
InChIInChI=1S/C13H17NO2/c1-2-10-9-14-8-5-11(10)13(12(15)16)6-3-4-7-13/h5,8-9H,2-4,6-7H2,1H3,(H,15,16)
InChIKeyOZOMVWUSJHXRPY-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.54
Rot. Bonds3

About 1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid

1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid (PubChem CID 115008860) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid
PubChem CID115008860
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid
SMILESCCc1cnccc1C1(C(=O)O)CCCC1
InChIInChI=1S/C13H17NO2/c1-2-10-9-14-8-5-11(10)13(12(15)16)6-3-4-7-13/h5,8-9H,2-4,6-7H2,1H3,(H,15,16)
InChIKeyOZOMVWUSJHXRPY-UHFFFAOYSA-N
XLogP2.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-8-ylcyclopentane-1-carboxylic acid
CID 117355312
1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid
CID 115009157
1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid
CID 130055276
1-(5-bromo-2-ethylphenyl)cyclohexane-1-carboxylic acid
CID 117496068
1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylic acid
CID 117442420
1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxylic acid
CID 117469168
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid
CID 82664593
1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid
CID 117114104
1-pyrazin-2-ylcyclohexane-1-carboxylic acid
CID 96767473
1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxylic acid
CID 117410193
1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117405451
1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
CID 117405456

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid (CID 115008860) is 1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid is CCc1cnccc1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid?
The InChIKey is OZOMVWUSJHXRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-10-9-14-8-5-11(10)13(12(15)16)6-3-4-7-13/h5,8-9H,2-4,6-7H2,1H3,(H,15,16).
What are the key properties of 1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid?
1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115008860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).