tert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate

C13H23NO3 — CID 10243413

IUPACtert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate
SMILESCCCC[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-5-6-7-10-8-9-11(15)14(10)12(16)17-13(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyFYKLOKJGSKIDGA-SNVBAGLBSA-N
MW241.33 g/mol
LogP3.10
Rot. Bonds3

About tert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate (PubChem CID 10243413) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate
PubChem CID10243413
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate
SMILESCCCC[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-5-6-7-10-8-9-11(15)14(10)12(16)17-13(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyFYKLOKJGSKIDGA-SNVBAGLBSA-N
XLogP3.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate (CID 10243413) is tert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate is CCCC[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate?
The InChIKey is FYKLOKJGSKIDGA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-6-7-10-8-9-11(15)14(10)12(16)17-13(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-butyl-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 10243413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).