[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate

C14H20N2O3 — CID 7717691

IUPAC[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate
SMILESN#CC1(NC(=O)COC(=O)C2CCCC2)CCCC1
InChIInChI=1S/C14H20N2O3/c15-10-14(7-3-4-8-14)16-12(17)9-19-13(18)11-5-1-2-6-11/h11H,1-9H2,(H,16,17)
InChIKeyUGKXULRNQKDICH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.67
Rot. Bonds4

About [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 7717691) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate
PubChem CID7717691
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate
SMILESN#CC1(NC(=O)COC(=O)C2CCCC2)CCCC1
InChIInChI=1S/C14H20N2O3/c15-10-14(7-3-4-8-14)16-12(17)9-19-13(18)11-5-1-2-6-11/h11H,1-9H2,(H,16,17)
InChIKeyUGKXULRNQKDICH-UHFFFAOYSA-N
XLogP1.67
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7187170
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 26039921
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46792293
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7940070
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 42980284
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739976
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 42981676
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate
CID 46639086
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 8736550
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8741890

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate (CID 7717691) is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate is N#CC1(NC(=O)COC(=O)C2CCCC2)CCCC1.
What is the InChIKey of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is UGKXULRNQKDICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-10-14(7-3-4-8-14)16-12(17)9-19-13(18)11-5-1-2-6-11/h11H,1-9H2,(H,16,17).
What are the key properties of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate?
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 7717691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).