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

C13H22N2O3 — CID 154707076

IUPACtert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1N1CCCC1=O
InChIInChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-9-4-6-10(15)14-8-5-7-11(14)16/h10H,4-9H2,1-3H3
InChIKeyJDKCSXQFGSZAJH-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.97
Rot. Bonds1

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

tert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 154707076) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
PubChem CID154707076
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nametert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1N1CCCC1=O
InChIInChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-9-4-6-10(15)14-8-5-7-11(14)16/h10H,4-9H2,1-3H3
InChIKeyJDKCSXQFGSZAJH-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
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tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate
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1-(2-chloropropanoyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
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tert-butyl 7-oxo-2-azabicyclo[4.2.0]octane-2-carboxylate
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sodium tris[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy]boranuide
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tert-butyl 6-oxo-3,4,4a,5,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepine-1-carboxylate
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[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]boronic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate (CID 154707076) is tert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1N1CCCC1=O.
What is the InChIKey of tert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is JDKCSXQFGSZAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-9-4-6-10(15)14-8-5-7-11(14)16/h10H,4-9H2,1-3H3.
What are the key properties of tert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 154707076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).