[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate

C15H20N2O3 — CID 7671223

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C15H20N2O3/c1-16-13-9-5-4-8-12(13)15(19)20-10-14(18)17-11-6-2-3-7-11/h4-5,8-9,11,16H,2-3,6-7,10H2,1H3,(H,17,18)
InChIKeyJUWNTAAUXCOXCZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.94
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate

[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate (PubChem CID 7671223) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
PubChem CID7671223
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C15H20N2O3/c1-16-13-9-5-4-8-12(13)15(19)20-10-14(18)17-11-6-2-3-7-11/h4-5,8-9,11,16H,2-3,6-7,10H2,1H3,(H,17,18)
InChIKeyJUWNTAAUXCOXCZ-UHFFFAOYSA-N
XLogP1.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate 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

[2-(cyclohexylamino)-2-oxoethyl] 2-(butylamino)benzoate
CID 2613877
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613807
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2435041
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578328
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568997
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2715031
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551
[2-(cyclohexylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503827
[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075577
[2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 5062886
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 4215187

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate (CID 7671223) is [2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate?
The InChIKey is JUWNTAAUXCOXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16-13-9-5-4-8-12(13)15(19)20-10-14(18)17-11-6-2-3-7-11/h4-5,8-9,11,16H,2-3,6-7,10H2,1H3,(H,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate?
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate is sourced from PubChem (CID 7671223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).