tert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate

C10H18N2O3 — CID 174710575

IUPACtert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1NC(=O)C1(C)C
InChIInChI=1S/C10H18N2O3/c1-9(2,3)15-8(14)12-6-10(4,5)7(13)11-6/h6H,1-5H3,(H,11,13)(H,12,14)/t6-/m0/s1
InChIKeyBZKWQDMUFYKZFD-LURJTMIESA-N
MW214.26 g/mol
LogP0.99
Rot. Bonds1

About tert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate

tert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate (PubChem CID 174710575) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate
PubChem CID174710575
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nametert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1NC(=O)C1(C)C
InChIInChI=1S/C10H18N2O3/c1-9(2,3)15-8(14)12-6-10(4,5)7(13)11-6/h6H,1-5H3,(H,11,13)(H,12,14)/t6-/m0/s1
InChIKeyBZKWQDMUFYKZFD-LURJTMIESA-N
XLogP0.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate
CID 138113063
tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate
CID 84679804
tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate
CID 166816959
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate
CID 92980395
tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate
CID 14329172
tert-butyl N-(4-oxo-1,3-thiazolidin-2-yl)carbamate
CID 143199969
tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate
CID 155351163
tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate
CID 67108890
tert-butyl N-(3,3-dimethyl-5-oxocyclohexyl)carbamate
CID 122163856
tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate
CID 130068094

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate (CID 174710575) is tert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1NC(=O)C1(C)C.
What is the InChIKey of tert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate?
The InChIKey is BZKWQDMUFYKZFD-LURJTMIESA-N. The full InChI is InChI=1S/C10H18N2O3/c1-9(2,3)15-8(14)12-6-10(4,5)7(13)11-6/h6H,1-5H3,(H,11,13)(H,12,14)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate?
tert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate has a molecular weight of 214.26 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate is sourced from PubChem (CID 174710575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).