tert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate

C15H24N2O4 — CID 121207246

IUPACtert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC1(CCNC(=O)O1)C2
InChIInChI=1S/C15H24N2O4/c1-14(2,3)21-13(19)17-10-4-5-11(17)9-15(8-10)6-7-16-12(18)20-15/h10-11H,4-9H2,1-3H3,(H,16,18)
InChIKeyOLHOLURHVXRWRG-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.42
Rot. Bonds

About tert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate

tert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate (PubChem CID 121207246) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate
PubChem CID121207246
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC1(CCNC(=O)O1)C2
InChIInChI=1S/C15H24N2O4/c1-14(2,3)21-13(19)17-10-4-5-11(17)9-15(8-10)6-7-16-12(18)20-15/h10-11H,4-9H2,1-3H3,(H,16,18)
InChIKeyOLHOLURHVXRWRG-UHFFFAOYSA-N
XLogP2.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate?
The IUPAC name of tert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate (CID 121207246) is tert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate.
What is the SMILES notation for tert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate?
The canonical SMILES for tert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate is CC(C)(C)OC(=O)N1C2CCC1CC1(CCNC(=O)O1)C2.
What is the InChIKey of tert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate?
The InChIKey is OLHOLURHVXRWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-14(2,3)21-13(19)17-10-4-5-11(17)9-15(8-10)6-7-16-12(18)20-15/h10-11H,4-9H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate?
tert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxospiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate is sourced from PubChem (CID 121207246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).