tert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate

C19H32N2O4 — CID 91812188

IUPACtert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC1(C2)CN(C(C)(C)C)C(=O)CO1
InChIInChI=1S/C19H32N2O4/c1-17(2,3)20-12-19(24-11-15(20)22)9-13-7-8-14(10-19)21(13)16(23)25-18(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyBUYPZQFJYHUTGT-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.94
Rot. Bonds

About tert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate

tert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate (PubChem CID 91812188) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is tert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
PubChem CID91812188
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Nametert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC1(C2)CN(C(C)(C)C)C(=O)CO1
InChIInChI=1S/C19H32N2O4/c1-17(2,3)20-12-19(24-11-15(20)22)9-13-7-8-14(10-19)21(13)16(23)25-18(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyBUYPZQFJYHUTGT-UHFFFAOYSA-N
XLogP2.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
The IUPAC name of tert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate (CID 91812188) is tert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate.
What is the SMILES notation for tert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
The canonical SMILES for tert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate is CC(C)(C)OC(=O)N1C2CCC1CC1(C2)CN(C(C)(C)C)C(=O)CO1.
What is the InChIKey of tert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
The InChIKey is BUYPZQFJYHUTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-17(2,3)20-12-19(24-11-15(20)22)9-13-7-8-14(10-19)21(13)16(23)25-18(4,5)6/h13-14H,7-12H2,1-6H3.
What are the key properties of tert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
tert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate has a molecular weight of 352.48 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4'-tert-butyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate is sourced from PubChem (CID 91812188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).