tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate

C13H24N2O3 — CID 147187788

IUPACtert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(C2CCOCC2)C1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)14-10-8-15(9-10)11-4-6-17-7-5-11/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyCAVIJWKGEKLIHH-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.37
Rot. Bonds2

About tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate

tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate (PubChem CID 147187788) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
PubChem CID147187788
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(C2CCOCC2)C1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)14-10-8-15(9-10)11-4-6-17-7-5-11/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyCAVIJWKGEKLIHH-UHFFFAOYSA-N
XLogP1.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate
CID 146560939
tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56604508
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
CID 68513412
tert-butyl N-[(3R)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]carbamate
CID 53256386
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 112544651
tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112544603
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate
CID 171837901
tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate
CID 124909009

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate (CID 147187788) is tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CN(C2CCOCC2)C1.
What is the InChIKey of tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate?
The InChIKey is CAVIJWKGEKLIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)14-10-8-15(9-10)11-4-6-17-7-5-11/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate?
tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate has a molecular weight of 256.35 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate is sourced from PubChem (CID 147187788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).