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

C12H22N2O3 — CID 164555792

IUPACtert-butyl 2-amino-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1C(N)C(O)C2
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-7-4-5-8(14)10(13)9(15)6-7/h7-10,15H,4-6,13H2,1-3H3
InChIKeyBMQOTADUHVVXIA-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.85
Rot. Bonds

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

tert-butyl 2-amino-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 164555792) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 2-amino-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID164555792
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 2-amino-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1C(N)C(O)C2
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-7-4-5-8(14)10(13)9(15)6-7/h7-10,15H,4-6,13H2,1-3H3
InChIKeyBMQOTADUHVVXIA-UHFFFAOYSA-N
XLogP0.85
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 2-amino-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 164555792) is tert-butyl 2-amino-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 2-amino-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCC1C(N)C(O)C2.
What is the InChIKey of tert-butyl 2-amino-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is BMQOTADUHVVXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-7-4-5-8(14)10(13)9(15)6-7/h7-10,15H,4-6,13H2,1-3H3.
What are the key properties of tert-butyl 2-amino-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 2-amino-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 164555792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).