tert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate

C13H24N2O2 — CID 115043875

IUPACtert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC1C(N)CC2CCC1N2C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-8-10(14)7-9-5-6-11(8)15(9)12(16)17-13(2,3)4/h8-11H,5-7,14H2,1-4H3
InChIKeyMBWDJSMZAQCVLN-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.12
Rot. Bonds

About tert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 115043875) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID115043875
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC1C(N)CC2CCC1N2C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-8-10(14)7-9-5-6-11(8)15(9)12(16)17-13(2,3)4/h8-11H,5-7,14H2,1-4H3
InChIKeyMBWDJSMZAQCVLN-UHFFFAOYSA-N
XLogP2.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 115043875) is tert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate is CC1C(N)CC2CCC1N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is MBWDJSMZAQCVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-8-10(14)7-9-5-6-11(8)15(9)12(16)17-13(2,3)4/h8-11H,5-7,14H2,1-4H3.
What are the key properties of tert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 115043875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).