tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate

C11H20N2O2 — CID 154704474

IUPACtert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN[C@H]1C2
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-5-7-4-8(9)12-6-7/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1
InChIKeyJFEPYXAQPBPXRI-VGMNWLOBSA-N
MW212.29 g/mol
LogP1.26
Rot. Bonds1

About tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate

tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate (PubChem CID 154704474) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate
PubChem CID154704474
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN[C@H]1C2
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-5-7-4-8(9)12-6-7/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1
InChIKeyJFEPYXAQPBPXRI-VGMNWLOBSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride
CID 126791140
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,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate
CID 154725996
tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate
CID 70204935
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(4R)-4-fluoropyrrolidin-3-yl]carbamate
CID 166849692
tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate
CID 121207555
tert-butyl N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]carbamate
CID 137480616
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate (CID 154704474) is tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN[C@H]1C2.
What is the InChIKey of tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate?
The InChIKey is JFEPYXAQPBPXRI-VGMNWLOBSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-5-7-4-8(9)12-6-7/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1.
What are the key properties of tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate?
tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate has a molecular weight of 212.29 g/mol, XLogP of 1.26, 1 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,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate is sourced from PubChem (CID 154704474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).