tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate

C12H22N2O2 — CID 74787550

IUPACtert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CC[C@H]1N2
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-7-5-8-4-6-9(10)13-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10-/m0/s1
InChIKeyKAZCIFZEEFNPOF-AEJSXWLSSA-N
MW226.32 g/mol
LogP1.79
Rot. Bonds1

About tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate

tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate (PubChem CID 74787550) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate
PubChem CID74787550
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CC[C@H]1N2
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-7-5-8-4-6-9(10)13-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10-/m0/s1
InChIKeyKAZCIFZEEFNPOF-AEJSXWLSSA-N
XLogP1.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate
CID 141130030
methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 123732561
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
tert-butyl N-(5-fluoroazepan-4-yl)carbamate
CID 86680071
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride
CID 126791140
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate (CID 74787550) is tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CC[C@H]1N2.
What is the InChIKey of tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate?
The InChIKey is KAZCIFZEEFNPOF-AEJSXWLSSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-7-5-8-4-6-9(10)13-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10-/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate?
tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate has a molecular weight of 226.32 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate is sourced from PubChem (CID 74787550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).