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

C14H22N2O4 — CID 130003309

IUPACtert-butyl 2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC3(CCNC3=O)C(C1)O2
InChIInChI=1S/C14H22N2O4/c1-13(2,3)20-12(18)16-7-9-6-14(10(8-16)19-9)4-5-15-11(14)17/h9-10H,4-8H2,1-3H3,(H,15,17)
InChIKeyQQEVAKXBWOLOBJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.90
Rot. Bonds

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

tert-butyl 2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate (PubChem CID 130003309) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl 2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate
PubChem CID130003309
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametert-butyl 2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC3(CCNC3=O)C(C1)O2
InChIInChI=1S/C14H22N2O4/c1-13(2,3)20-12(18)16-7-9-6-14(10(8-16)19-9)4-5-15-11(14)17/h9-10H,4-8H2,1-3H3,(H,15,17)
InChIKeyQQEVAKXBWOLOBJ-UHFFFAOYSA-N
XLogP0.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate?
The IUPAC name of tert-butyl 2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate (CID 130003309) is tert-butyl 2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate.
What is the SMILES notation for tert-butyl 2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate?
The canonical SMILES for tert-butyl 2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate is CC(C)(C)OC(=O)N1CC2CC3(CCNC3=O)C(C1)O2.
What is the InChIKey of tert-butyl 2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate?
The InChIKey is QQEVAKXBWOLOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-13(2,3)20-12(18)16-7-9-6-14(10(8-16)19-9)4-5-15-11(14)17/h9-10H,4-8H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl 2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate?
tert-butyl 2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 0.90, 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[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate is sourced from PubChem (CID 130003309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).