[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate

C17H17N3O4 — CID 9318201

IUPAC[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C17H17N3O4/c18-9-13-5-1-2-6-14(13)23-11-16(22)24-10-15(21)20-17(12-19)7-3-4-8-17/h1-2,5-6H,3-4,7-8,10-11H2,(H,20,21)
InChIKeyMDIYPXUBOWDQIF-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.43
Rot. Bonds6

About [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate (PubChem CID 9318201) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
PubChem CID9318201
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C17H17N3O4/c18-9-13-5-1-2-6-14(13)23-11-16(22)24-10-15(21)20-17(12-19)7-3-4-8-17/h1-2,5-6H,3-4,7-8,10-11H2,(H,20,21)
InChIKeyMDIYPXUBOWDQIF-UHFFFAOYSA-N
XLogP1.43
TPSA112.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528080
1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351152
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841982
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 7522779
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzoic acid
CID 45394212
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 7659084
2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide
CID 7434176
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317909
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524295
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878271
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(2-cyanophenoxy)acetate
CID 2372728
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827716

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate (CID 9318201) is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate is N#Cc1ccccc1OCC(=O)OCC(=O)NC1(C#N)CCCC1.
What is the InChIKey of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The InChIKey is MDIYPXUBOWDQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c18-9-13-5-1-2-6-14(13)23-11-16(22)24-10-15(21)20-17(12-19)7-3-4-8-17/h1-2,5-6H,3-4,7-8,10-11H2,(H,20,21).
What are the key properties of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate has a molecular weight of 327.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 9318201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).