tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate

C11H19NO2 — CID 169176648

IUPACtert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC[C@@H]1C2
InChIInChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-8-5-4-6-9(12)7-8/h8-9H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyTVCGBLPRTDRMKX-VEDVMXKPSA-N
MW197.28 g/mol
LogP2.55
Rot. Bonds

About tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate

tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate (PubChem CID 169176648) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate
PubChem CID169176648
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC[C@@H]1C2
InChIInChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-8-5-4-6-9(12)7-8/h8-9H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyTVCGBLPRTDRMKX-VEDVMXKPSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate with MolForge

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Related Compounds

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
9-[(2-methylpropan-2-yl)oxycarbonyl]-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 121229883
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
tert-butyl (1S,5S)-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 86811260
tert-butyl 3,3-dioxo-3λ6-thia-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 123868042
tert-butyl 6-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 155892056
tert-butyl 3-(2-methylbut-2-enoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171938270
tert-butyl (5S)-3-hydroxy-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 176763808
tert-butyl 6-methyl-2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate
CID 71545696
tert-butyl 3-(3-methylbutanoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171938293

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate?
The IUPAC name of tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate (CID 169176648) is tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate.
What is the SMILES notation for tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate?
The canonical SMILES for tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate is CC(C)(C)OC(=O)N1C2CCC[C@@H]1C2.
What is the InChIKey of tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate?
The InChIKey is TVCGBLPRTDRMKX-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-8-5-4-6-9(12)7-8/h8-9H,4-7H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate?
tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate is sourced from PubChem (CID 169176648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).