tert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate

C11H20N2O3 — CID 130410873

IUPACtert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1(N)COC2
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(14)13-8-4-5-11(13,12)7-15-6-8/h8H,4-7,12H2,1-3H3
InChIKeyGUVVFEDEQLQMOQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.07
Rot. Bonds

About tert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 130410873) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID130410873
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1(N)COC2
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(14)13-8-4-5-11(13,12)7-15-6-8/h8H,4-7,12H2,1-3H3
InChIKeyGUVVFEDEQLQMOQ-UHFFFAOYSA-N
XLogP1.07
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 130410873) is tert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCC1(N)COC2.
What is the InChIKey of tert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is GUVVFEDEQLQMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2,3)16-9(14)13-8-4-5-11(13,12)7-15-6-8/h8H,4-7,12H2,1-3H3.
What are the key properties of tert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 130410873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).