tert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate

C11H20N2O2 — CID 15434806

IUPACtert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC1CC2N
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-7-4-8(13)5-9(7)12/h7-9H,4-6,12H2,1-3H3
InChIKeyHGLKMYOTFGKEDG-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.34
Rot. Bonds

About tert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate

tert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 15434806) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate
PubChem CID15434806
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC1CC2N
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-7-4-8(13)5-9(7)12/h7-9H,4-6,12H2,1-3H3
InChIKeyHGLKMYOTFGKEDG-UHFFFAOYSA-N
XLogP1.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of tert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate (CID 15434806) is tert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate is CC(C)(C)OC(=O)N1CC2CC1CC2N.
What is the InChIKey of tert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is HGLKMYOTFGKEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-7-4-8(13)5-9(7)12/h7-9H,4-6,12H2,1-3H3.
What are the key properties of tert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate?
tert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 15434806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).