tert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate

C12H22N2O3 — CID 67189658

IUPACtert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)N(C1CNC1)C1CCOC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14(10-6-13-7-10)9-4-5-16-8-9/h9-10,13H,4-8H2,1-3H3
InChIKeyUVGKCZJBODLOPK-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.98
Rot. Bonds2

About tert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate

tert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate (PubChem CID 67189658) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate
PubChem CID67189658
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)N(C1CNC1)C1CCOC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14(10-6-13-7-10)9-4-5-16-8-9/h9-10,13H,4-8H2,1-3H3
InChIKeyUVGKCZJBODLOPK-UHFFFAOYSA-N
XLogP0.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate (CID 67189658) is tert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate is CC(C)(C)OC(=O)N(C1CNC1)C1CCOC1.
What is the InChIKey of tert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate?
The InChIKey is UVGKCZJBODLOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14(10-6-13-7-10)9-4-5-16-8-9/h9-10,13H,4-8H2,1-3H3.
What are the key properties of tert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate?
tert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate has a molecular weight of 242.32 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate is sourced from PubChem (CID 67189658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).