[2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate

C15H16N2O3 — CID 2431145

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate
SMILESN#Cc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H16N2O3/c16-9-11-5-7-12(8-6-11)15(19)20-10-14(18)17-13-3-1-2-4-13/h5-8,13H,1-4,10H2,(H,17,18)
InChIKeyBKHKPUZZZBYIPX-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.77
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate

[2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate (PubChem CID 2431145) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate
PubChem CID2431145
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate
SMILESN#Cc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H16N2O3/c16-9-11-5-7-12(8-6-11)15(19)20-10-14(18)17-13-3-1-2-4-13/h5-8,13H,1-4,10H2,(H,17,18)
InChIKeyBKHKPUZZZBYIPX-UHFFFAOYSA-N
XLogP1.77
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate (CID 2431145) is [2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate is N#Cc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate?
The InChIKey is BKHKPUZZZBYIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-9-11-5-7-12(8-6-11)15(19)20-10-14(18)17-13-3-1-2-4-13/h5-8,13H,1-4,10H2,(H,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate has a molecular weight of 272.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate is sourced from PubChem (CID 2431145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).