tert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate

C15H24N2O4 — CID 131146537

IUPACtert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C[C@@]3(CCCNC3=O)[C@H](C1)O2
InChIInChI=1S/C15H24N2O4/c1-14(2,3)21-13(19)17-8-10-7-15(11(9-17)20-10)5-4-6-16-12(15)18/h10-11H,4-9H2,1-3H3,(H,16,18)/t10-,11-,15-/m0/s1
InChIKeyHTIRGIGBQJOSOU-PGUXBMHVSA-N
MW296.37 g/mol
LogP1.29
Rot. Bonds

About tert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate

tert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate (PubChem CID 131146537) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate
PubChem CID131146537
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C[C@@]3(CCCNC3=O)[C@H](C1)O2
InChIInChI=1S/C15H24N2O4/c1-14(2,3)21-13(19)17-8-10-7-15(11(9-17)20-10)5-4-6-16-12(15)18/h10-11H,4-9H2,1-3H3,(H,16,18)/t10-,11-,15-/m0/s1
InChIKeyHTIRGIGBQJOSOU-PGUXBMHVSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate?
The IUPAC name of tert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate (CID 131146537) is tert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate.
What is the SMILES notation for tert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate?
The canonical SMILES for tert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate is CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]3(CCCNC3=O)[C@H](C1)O2.
What is the InChIKey of tert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate?
The InChIKey is HTIRGIGBQJOSOU-PGUXBMHVSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-14(2,3)21-13(19)17-8-10-7-15(11(9-17)20-10)5-4-6-16-12(15)18/h10-11H,4-9H2,1-3H3,(H,16,18)/t10-,11-,15-/m0/s1.
What are the key properties of tert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate?
tert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 1.29, 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,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate is sourced from PubChem (CID 131146537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).