tert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate

C12H22N2O2 — CID 130901031

IUPACtert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1[C@H]2CC[C@@H]1NC2
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-8-4-5-10(9)13-6-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10-/m0/s1
InChIKeyGMPDLHBPFAXVRV-AEJSXWLSSA-N
MW226.32 g/mol
LogP1.51
Rot. Bonds2

About tert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate

tert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate (PubChem CID 130901031) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate
PubChem CID130901031
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1[C@H]2CC[C@@H]1NC2
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-8-4-5-10(9)13-6-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10-/m0/s1
InChIKeyGMPDLHBPFAXVRV-AEJSXWLSSA-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-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate (CID 130901031) is tert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1[C@H]2CC[C@@H]1NC2.
What is the InChIKey of tert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate?
The InChIKey is GMPDLHBPFAXVRV-AEJSXWLSSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-8-4-5-10(9)13-6-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10-/m0/s1.
What are the key properties of tert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate?
tert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-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-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate is sourced from PubChem (CID 130901031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).