tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate

C12H22N2O2 — CID 170897306

IUPACtert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1C[C@H]2C[C@@H]1CN2
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-5-10-4-8(9)6-13-10/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9-,10-/m1/s1
InChIKeyIZSYFEVGCHDPSL-OPRDCNLKSA-N
MW226.32 g/mol
LogP1.51
Rot. Bonds2

About tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate

tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate (PubChem CID 170897306) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate
PubChem CID170897306
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1C[C@H]2C[C@@H]1CN2
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-5-10-4-8(9)6-13-10/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9-,10-/m1/s1
InChIKeyIZSYFEVGCHDPSL-OPRDCNLKSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
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CID 154725996
tert-butyl N-(aziridin-2-ylmethyl)carbamate
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tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
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tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate
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tert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate
CID 130901031
tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate
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tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate
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tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate
CID 22408667
tert-butyl N-[[4-(difluoromethyl)pyrrolidin-3-yl]methyl]carbamate
CID 130800949
tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate
CID 165444188

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate (CID 170897306) is tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1C[C@H]2C[C@@H]1CN2.
What is the InChIKey of tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate?
The InChIKey is IZSYFEVGCHDPSL-OPRDCNLKSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-5-10-4-8(9)6-13-10/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9-,10-/m1/s1.
What are the key properties of tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate?
tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate has a molecular weight of 226.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate is sourced from PubChem (CID 170897306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).