tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate

C12H22N2O3 — CID 7062127

IUPACtert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)NCCO2
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-7-4-12(5-8-14)13-6-9-16-12/h13H,4-9H2,1-3H3
InChIKeySSTKSZCFMRRXBA-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.33
Rot. Bonds

About tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 7062127) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID7062127
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)NCCO2
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-7-4-12(5-8-14)13-6-9-16-12/h13H,4-9H2,1-3H3
InChIKeySSTKSZCFMRRXBA-UHFFFAOYSA-N
XLogP1.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate (CID 7062127) is tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)NCCO2.
What is the InChIKey of tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is SSTKSZCFMRRXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-7-4-12(5-8-14)13-6-9-16-12/h13H,4-9H2,1-3H3.
What are the key properties of tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 7062127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).