tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate

C12H24N2O2 — CID 89460397

IUPACtert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CN(C(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)14-7-9(8-14)13-10(15)16-12(4,5)6/h9H,7-8H2,1-6H3,(H,13,15)
InChIKeyWWNJSOKTOLGXTK-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.99
Rot. Bonds1

About tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate

tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate (PubChem CID 89460397) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
PubChem CID89460397
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CN(C(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)14-7-9(8-14)13-10(15)16-12(4,5)6/h9H,7-8H2,1-6H3,(H,13,15)
InChIKeyWWNJSOKTOLGXTK-UHFFFAOYSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
CID 59986888
prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460440
tert-butyl N-(1-propanoylazetidin-3-yl)carbamate
CID 163264454
tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate
CID 146600918
tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate
CID 139430473
tert-butyl N-(1-hydroxyazepan-3-yl)carbamate
CID 70285505
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
CID 68513412
tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate
CID 171608569
tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
CID 147187788
tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 45092180
tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate
CID 59130918

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate (CID 89460397) is tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CN(C(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate?
The InChIKey is WWNJSOKTOLGXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)14-7-9(8-14)13-10(15)16-12(4,5)6/h9H,7-8H2,1-6H3,(H,13,15).
What are the key properties of tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate?
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate is sourced from PubChem (CID 89460397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).