tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate

C13H22N2O3 — CID 170992985

IUPACtert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCCC2=O)C1
InChIInChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)14-8-6-10(9-14)15-7-4-5-11(15)16/h10H,4-9H2,1-3H3
InChIKeyRIAKTZDASLHEIQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.62
Rot. Bonds1

About tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 170992985) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
PubChem CID170992985
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nametert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCCC2=O)C1
InChIInChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)14-8-6-10(9-14)15-7-4-5-11(15)16/h10H,4-9H2,1-3H3
InChIKeyRIAKTZDASLHEIQ-UHFFFAOYSA-N
XLogP1.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-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

Related Compounds

tert-butyl (3R)-3-(4-chloro-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 168686809
1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690127
tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 171523993
tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 76644324
tert-butyl (3R)-3-(3-bromo-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 58430292
tert-butyl (3R)-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 168506489
tert-butyl 3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 118114997
tert-butyl 3-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 168680158
tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168698716
tert-butyl (3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 118114841
tert-butyl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 18545171
tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 118114407

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate (CID 170992985) is tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCCC2=O)C1.
What is the InChIKey of tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is RIAKTZDASLHEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)14-8-6-10(9-14)15-7-4-5-11(15)16/h10H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 170992985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).