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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Related Compounds

tert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate
CID 131146537
tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130625530
tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 124518790
tert-butyl 9-oxa-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 58477127
tert-butyl 9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 18540412
tert-butyl 5-oxo-12-oxa-4,10-diazatricyclo[6.3.1.01,6]dodecane-10-carboxylate
CID 130003153
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl 4-hydroxy-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 86709491
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355

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).