tert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate

C15H24N2O4 — CID 121344145

IUPACtert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC1(C2)OCCNC1=O
InChIInChI=1S/C15H24N2O4/c1-14(2,3)21-13(19)17-10-4-5-11(17)9-15(8-10)12(18)16-6-7-20-15/h10-11H,4-9H2,1-3H3,(H,16,18)/t10-,11+,15?
InChIKeyGCAGUNFUOTWDGS-YWXMQNBFSA-N
MW296.37 g/mol
LogP1.43
Rot. Bonds

About tert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate

tert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate (PubChem CID 121344145) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
PubChem CID121344145
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC1(C2)OCCNC1=O
InChIInChI=1S/C15H24N2O4/c1-14(2,3)21-13(19)17-10-4-5-11(17)9-15(8-10)12(18)16-6-7-20-15/h10-11H,4-9H2,1-3H3,(H,16,18)/t10-,11+,15?
InChIKeyGCAGUNFUOTWDGS-YWXMQNBFSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (1S,5R)-3'-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 (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
The IUPAC name of tert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate (CID 121344145) is tert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate.
What is the SMILES notation for tert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
The canonical SMILES for tert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate is CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC1(C2)OCCNC1=O.
What is the InChIKey of tert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
The InChIKey is GCAGUNFUOTWDGS-YWXMQNBFSA-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)12(18)16-6-7-20-15/h10-11H,4-9H2,1-3H3,(H,16,18)/t10-,11+,15?.
What are the key properties of tert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
tert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate is sourced from PubChem (CID 121344145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).