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

C12H21NO2 — CID 69350476

IUPACtert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCCC1CC2
InChIInChI=1S/C12H21NO2/c1-12(2,3)15-11(14)13-9-5-4-6-10(13)8-7-9/h9-10H,4-8H2,1-3H3
InChIKeyGDYVHALUVFLVMF-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.94
Rot. Bonds

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

tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 69350476) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID69350476
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nametert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCCC1CC2
InChIInChI=1S/C12H21NO2/c1-12(2,3)15-11(14)13-9-5-4-6-10(13)8-7-9/h9-10H,4-8H2,1-3H3
InChIKeyGDYVHALUVFLVMF-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 169176648
tert-butyl 3,3-dioxo-3λ6-thia-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 123868042
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 3-oxo-10-azabicyclo[4.3.1]decane-10-carboxylate
CID 171937042
9-[(2-methylpropan-2-yl)oxycarbonyl]-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 121229883
tert-butyl (5R)-3-hydroxyimino-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 161035412
tert-butyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;ethane
CID 171827432
tert-butyl (1R)-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
CID 118214329
tert-butyl 3-hydroxy-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 137333297
tert-butyl 3-hydrazinyl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171951229
tert-butyl 3-(2-hydroxyethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 135396485

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate (CID 69350476) is tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCCC1CC2.
What is the InChIKey of tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is GDYVHALUVFLVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,3)15-11(14)13-9-5-4-6-10(13)8-7-9/h9-10H,4-8H2,1-3H3.
What are the key properties of tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 69350476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).