[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate

C15H22N2O4 — CID 26039921

IUPAC[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESN#CC1(NC(=O)COC(=O)C2(O)CCCCC2)CCCC1
InChIInChI=1S/C15H22N2O4/c16-11-14(6-4-5-7-14)17-12(18)10-21-13(19)15(20)8-2-1-3-9-15/h20H,1-10H2,(H,17,18)
InChIKeyPXDRRVGFGWJSOE-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.18
Rot. Bonds4

About [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate (PubChem CID 26039921) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
PubChem CID26039921
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESN#CC1(NC(=O)COC(=O)C2(O)CCCCC2)CCCC1
InChIInChI=1S/C15H22N2O4/c16-11-14(6-4-5-7-14)17-12(18)10-21-13(19)15(20)8-2-1-3-9-15/h20H,1-10H2,(H,17,18)
InChIKeyPXDRRVGFGWJSOE-UHFFFAOYSA-N
XLogP1.18
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate
CID 7717691
[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] (E)-pent-2-enoate
CID 18206853
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-bromobenzoate
CID 7476853
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783889
N-(1-cyanocyclopentyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111538101
N-(1-cyanocyclopentyl)propanamide
CID 55029198
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7834014
4-[(1-cyanocyclohexyl)amino]-4-oxobutanoic acid
CID 82287344
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 42980138
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] anthracene-9-carboxylate
CID 7786656

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
The IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate (CID 26039921) is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate is N#CC1(NC(=O)COC(=O)C2(O)CCCCC2)CCCC1.
What is the InChIKey of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
The InChIKey is PXDRRVGFGWJSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c16-11-14(6-4-5-7-14)17-12(18)10-21-13(19)15(20)8-2-1-3-9-15/h20H,1-10H2,(H,17,18).
What are the key properties of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 26039921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).