[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate

C17H20N2O3 — CID 7659084

IUPAC[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
SMILESN#CC1(NC(=O)COC(=O)CCc2ccccc2)CCCC1
InChIInChI=1S/C17H20N2O3/c18-13-17(10-4-5-11-17)19-15(20)12-22-16(21)9-8-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-12H2,(H,19,20)
InChIKeyCESWQTJBYWWHIX-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.11
Rot. Bonds6

About [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate (PubChem CID 7659084) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
PubChem CID7659084
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
SMILESN#CC1(NC(=O)COC(=O)CCc2ccccc2)CCCC1
InChIInChI=1S/C17H20N2O3/c18-13-17(10-4-5-11-17)19-15(20)12-22-16(21)9-8-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-12H2,(H,19,20)
InChIKeyCESWQTJBYWWHIX-UHFFFAOYSA-N
XLogP2.11
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524295
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 7912998
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831915
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841982
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834274
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318201
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132991
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827716
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528080
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7857617
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-benzoylbenzoate
CID 7865547
3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide
CID 78830459

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate (CID 7659084) is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate is N#CC1(NC(=O)COC(=O)CCc2ccccc2)CCCC1.
What is the InChIKey of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is CESWQTJBYWWHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c18-13-17(10-4-5-11-17)19-15(20)12-22-16(21)9-8-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-12H2,(H,19,20).
What are the key properties of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate?
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 300.36 g/mol, XLogP of 2.11, 6 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] 3-phenylpropanoate is sourced from PubChem (CID 7659084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).