4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

C15H20N2O3 — CID 114511259

IUPAC4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(C)c2ccccn2)C1
InChIInChI=1S/C15H20N2O3/c1-3-10-8-11(12(9-10)15(19)20)14(18)17(2)13-6-4-5-7-16-13/h4-7,10-12H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyDQGLWVZOILCAOU-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.18
Rot. Bonds4

About 4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114511259) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114511259
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(C)c2ccccn2)C1
InChIInChI=1S/C15H20N2O3/c1-3-10-8-11(12(9-10)15(19)20)14(18)17(2)13-6-4-5-7-16-13/h4-7,10-12H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyDQGLWVZOILCAOU-UHFFFAOYSA-N
XLogP2.18
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-[methyl(pyridin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511846
(3R)-N,3-dimethyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 144903948
4-hydroxy-N-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 115150798
N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 115150404
4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511706
cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378868
3-(cyclopropylamino)-N-methyl-N-pyridin-2-ylpropanamide
CID 60843331
2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-dicarboxamide
CID 101347293
4-benzoyl-N-methyl-N-pyridin-2-ylbenzamide
CID 51051173
1-methyl-3-propyl-1-pyridin-2-ylurea
CID 116653987
2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511610
cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091827

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114511259) is 4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)N(C)c2ccccn2)C1.
What is the InChIKey of 4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is DQGLWVZOILCAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-10-8-11(12(9-10)15(19)20)14(18)17(2)13-6-4-5-7-16-13/h4-7,10-12H,3,8-9H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[methyl(pyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).