cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid

C14H18N2O3 — CID 74235631

IUPACcis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)NCCc2ccccn2)C1
InChIInChI=1S/C14H18N2O3/c17-13(10-4-5-11(9-10)14(18)19)16-8-6-12-3-1-2-7-15-12/h1-3,7,10-11H,4-6,8-9H2,(H,16,17)(H,18,19)/t10-,11+/m0/s1
InChIKeyZPCFFLLBTKOWNU-WDEREUQCSA-N
MW262.31 g/mol
LogP1.24
Rot. Bonds5

About cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 74235631) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID74235631
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namecis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)NCCc2ccccn2)C1
InChIInChI=1S/C14H18N2O3/c17-13(10-4-5-11(9-10)14(18)19)16-8-6-12-3-1-2-7-15-12/h1-3,7,10-11H,4-6,8-9H2,(H,16,17)(H,18,19)/t10-,11+/m0/s1
InChIKeyZPCFFLLBTKOWNU-WDEREUQCSA-N
XLogP1.24
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
CID 144736514
3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044448
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid
CID 63043512
N-[(1R,2R,5S)-2-hydroxy-5-(2-pyridin-2-ylethylcarbamoyl)cyclohexyl]-2-(methylamino)pyridine-3-carboxamide
CID 155497399
1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide
CID 71702513
4-(but-3-enylamino)-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide dichloride
CID 10090644
cis-(1S,3R)-3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092307
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 74235631) is cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](C(=O)NCCc2ccccn2)C1.
What is the InChIKey of cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is ZPCFFLLBTKOWNU-WDEREUQCSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(10-4-5-11(9-10)14(18)19)16-8-6-12-3-1-2-7-15-12/h1-3,7,10-11H,4-6,8-9H2,(H,16,17)(H,18,19)/t10-,11+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 74235631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).