tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate

C11H20N2O3 — CID 138113063

IUPACtert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CNC(=O)C1(C)C
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)13-7-6-12-8(14)11(7,4)5/h7H,6H2,1-5H3,(H,12,14)(H,13,15)
InChIKeyQWPFJJAWVPRSMK-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.04
Rot. Bonds1

About tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate

tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate (PubChem CID 138113063) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate
PubChem CID138113063
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CNC(=O)C1(C)C
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)13-7-6-12-8(14)11(7,4)5/h7H,6H2,1-5H3,(H,12,14)(H,13,15)
InChIKeyQWPFJJAWVPRSMK-UHFFFAOYSA-N
XLogP1.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate
CID 84679804
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
tert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate
CID 174710575
tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate
CID 124676210
tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
CID 71301758
tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate
CID 92980395
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
tert-butyl N-[(3S)-4,4-difluoropyrrolidin-3-yl]carbamate
CID 124523315
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-(3,3-dimethyl-5-oxocyclohexyl)carbamate
CID 122163856
[(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid
CID 69017536

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate (CID 138113063) is tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CNC(=O)C1(C)C.
What is the InChIKey of tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate?
The InChIKey is QWPFJJAWVPRSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)13-7-6-12-8(14)11(7,4)5/h7H,6H2,1-5H3,(H,12,14)(H,13,15).
What are the key properties of tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate?
tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate has a molecular weight of 228.29 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate is sourced from PubChem (CID 138113063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).