ethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate

C13H21NO3 — CID 135041419

IUPACethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCC1N1CCCC1=O
InChIInChI=1S/C13H21NO3/c1-2-17-13(16)10-6-3-4-7-11(10)14-9-5-8-12(14)15/h10-11H,2-9H2,1H3/t10-,11?/m1/s1
InChIKeyOEOJIOKFPRKALA-NFJWQWPMSA-N
MW239.31 g/mol
LogP1.73
Rot. Bonds3

About ethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate

ethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate (PubChem CID 135041419) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate
PubChem CID135041419
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCC1N1CCCC1=O
InChIInChI=1S/C13H21NO3/c1-2-17-13(16)10-6-3-4-7-11(10)14-9-5-8-12(14)15/h10-11H,2-9H2,1H3/t10-,11?/m1/s1
InChIKeyOEOJIOKFPRKALA-NFJWQWPMSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate (CID 135041419) is ethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate is CCOC(=O)[C@@H]1CCCCC1N1CCCC1=O.
What is the InChIKey of ethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate?
The InChIKey is OEOJIOKFPRKALA-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-17-13(16)10-6-3-4-7-11(10)14-9-5-8-12(14)15/h10-11H,2-9H2,1H3/t10-,11?/m1/s1.
What are the key properties of ethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate?
ethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 135041419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).