tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate

C11H19NO3 — CID 84679804

IUPACtert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(=O)C1(C)C
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-7-6-8(13)11(7,4)5/h7H,6H2,1-5H3,(H,12,14)
InChIKeyCQICNEBWLQLCIC-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.88
Rot. Bonds1

About tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate

tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate (PubChem CID 84679804) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate
PubChem CID84679804
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(=O)C1(C)C
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-7-6-8(13)11(7,4)5/h7H,6H2,1-5H3,(H,12,14)
InChIKeyCQICNEBWLQLCIC-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate
CID 138113063
tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate
CID 124676210
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
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-spiro[2.5]octan-2-ylcarbamate
CID 86276839
trans-(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
CID 15819068
tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate
CID 92980395
tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate
CID 157038702
tert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate
CID 67935922

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate (CID 84679804) is tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate is CC(C)(C)OC(=O)NC1CC(=O)C1(C)C.
What is the InChIKey of tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate?
The InChIKey is CQICNEBWLQLCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-7-6-8(13)11(7,4)5/h7H,6H2,1-5H3,(H,12,14).
What are the key properties of tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate?
tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate is sourced from PubChem (CID 84679804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).