tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate

C12H22N2O3 — CID 126970193

IUPACtert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1C[C@@H]2COC[C@@H](C1)N2
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-8-4-9-6-16-7-10(5-8)13-9/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyPJGMDHUHBZCJMI-NXEZZACHSA-N
MW242.32 g/mol
LogP1.03
Rot. Bonds1

About tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate

tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate (PubChem CID 126970193) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate
PubChem CID126970193
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1C[C@@H]2COC[C@@H](C1)N2
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-8-4-9-6-16-7-10(5-8)13-9/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyPJGMDHUHBZCJMI-NXEZZACHSA-N
XLogP1.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)carbamate
CID 69210205
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate
CID 135171048
tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
CID 68605714
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate
CID 98052999
tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
CID 107239124
tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate
CID 155893866
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
tert-butyl N-[(4S)-4-aminooxolan-3-yl]carbamate
CID 146408189

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate (CID 126970193) is tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate is CC(C)(C)OC(=O)NC1C[C@@H]2COC[C@@H](C1)N2.
What is the InChIKey of tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate?
The InChIKey is PJGMDHUHBZCJMI-NXEZZACHSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-8-4-9-6-16-7-10(5-8)13-9/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t9-,10-/m1/s1.
What are the key properties of tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate?
tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate is sourced from PubChem (CID 126970193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).