tert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate

C13H24N2O3 — CID 139253357

IUPACtert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate
SMILESCCC(CN1CCCC1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-5-10(9-15-8-6-7-11(15)16)14-12(17)18-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyDDOHQGFZJKHYBF-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.91
Rot. Bonds4

About tert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate

tert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate (PubChem CID 139253357) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate
PubChem CID139253357
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate
SMILESCCC(CN1CCCC1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-5-10(9-15-8-6-7-11(15)16)14-12(17)18-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyDDOHQGFZJKHYBF-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate (CID 139253357) is tert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate is CCC(CN1CCCC1=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate?
The InChIKey is DDOHQGFZJKHYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-10(9-15-8-6-7-11(15)16)14-12(17)18-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17).
What are the key properties of tert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate?
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate has a molecular weight of 256.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-oxopyrrolidin-1-yl)butan-2-yl]carbamate is sourced from PubChem (CID 139253357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).