tert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate

C12H22N2O2 — CID 155892056

IUPACtert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCCC1C(N)C2
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-8-5-4-6-10(14)9(13)7-8/h8-10H,4-7,13H2,1-3H3
InChIKeyFHDFHYKWBSUCBY-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.88
Rot. Bonds

About tert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 155892056) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID155892056
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCCC1C(N)C2
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-8-5-4-6-10(14)9(13)7-8/h8-10H,4-7,13H2,1-3H3
InChIKeyFHDFHYKWBSUCBY-UHFFFAOYSA-N
XLogP1.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 169176648
tert-butyl (1R,2R,5R)-2-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 112756703
9-[(2-methylpropan-2-yl)oxycarbonyl]-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 121229883
tert-butyl (1S,5S)-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 86811260
tert-butyl (5S)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 131632259
tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate
CID 69350476
tert-butyl 3-hydrazinyl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171951229
tert-butyl 2-ethyl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 90442482
tert-butyl 3-(2-hydroxyethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 135396485
tert-butyl 2-methyl-5-azabicyclo[2.1.1]hexane-5-carboxylate
CID 166076980
ditert-butyl 2-oxo-9-azabicyclo[3.3.1]nonane-3,9-dicarboxylate
CID 58094718
(5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 127053664

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 155892056) is tert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCCC1C(N)C2.
What is the InChIKey of tert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is FHDFHYKWBSUCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-8-5-4-6-10(14)9(13)7-8/h8-10H,4-7,13H2,1-3H3.
What are the key properties of tert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 155892056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).