[(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate

C17H19NO4 — CID 8725942

IUPAC[(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(O[C@@H]1CCCCC1=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H19NO4/c19-14-7-1-2-8-15(14)22-17(21)12-5-3-6-13(11-12)18-10-4-9-16(18)20/h3,5-6,11,15H,1-2,4,7-10H2/t15-/m1/s1
InChIKeyZCDSXTGPPJMMEY-OAHLLOKOSA-N
MW301.34 g/mol
LogP2.48
Rot. Bonds3

About [(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate

[(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 8725942) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is [(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID8725942
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name[(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(O[C@@H]1CCCCC1=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H19NO4/c19-14-7-1-2-8-15(14)22-17(21)12-5-3-6-13(11-12)18-10-4-9-16(18)20/h3,5-6,11,15H,1-2,4,7-10H2/t15-/m1/s1
InChIKeyZCDSXTGPPJMMEY-OAHLLOKOSA-N
XLogP2.48
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)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

3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
[(1S)-1-cyanoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728071
1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
CID 70316561
N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4063191
2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid
CID 119213332
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8726008
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 46609915
[2-(3-fluorophenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8678174
1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 18145970
N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 97011465

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate (CID 8725942) is [(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate is O=C(O[C@@H]1CCCCC1=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of [(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is ZCDSXTGPPJMMEY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19NO4/c19-14-7-1-2-8-15(14)22-17(21)12-5-3-6-13(11-12)18-10-4-9-16(18)20/h3,5-6,11,15H,1-2,4,7-10H2/t15-/m1/s1.
What are the key properties of [(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
[(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 301.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 8725942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).