tert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate

C11H20N2O3 — CID 59130270

IUPACtert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2CNCC1O2
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-8-4-7-5-12-6-9(8)15-7/h7-9,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyJGMVADICZROLHL-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.64
Rot. Bonds1

About tert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate

tert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate (PubChem CID 59130270) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate
PubChem CID59130270
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2CNCC1O2
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-8-4-7-5-12-6-9(8)15-7/h7-9,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyJGMVADICZROLHL-UHFFFAOYSA-N
XLogP0.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate?
The IUPAC name of tert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate (CID 59130270) is tert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate is CC(C)(C)OC(=O)NC1CC2CNCC1O2.
What is the InChIKey of tert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate?
The InChIKey is JGMVADICZROLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-8-4-7-5-12-6-9(8)15-7/h7-9,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate?
tert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate has a molecular weight of 228.29 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-oxa-3-azabicyclo[3.2.1]octan-6-yl)carbamate is sourced from PubChem (CID 59130270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).