tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate

C13H24N2O3 — CID 67991811

IUPACtert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)COCCN2
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-4-13(5-8-15)10-17-9-6-14-13/h14H,4-10H2,1-3H3
InChIKeyJDCXGSPMQUVCTJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.38
Rot. Bonds

About tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate

tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 67991811) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID67991811
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)COCCN2
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-4-13(5-8-15)10-17-9-6-14-13/h14H,4-10H2,1-3H3
InChIKeyJDCXGSPMQUVCTJ-UHFFFAOYSA-N
XLogP1.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-[(piperidin-4-yloxy)methyl]piperidine-1-carboxylate
CID 19602711
Tert-butyl 4-amino-4-(methoxymethyl)piperidine-1-carboxylate
CID 21882533
tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 53302318
tert-Butyl 1-oxa-4,9-diazaspiro(5.5)undecane-4-carboxylate
CID 53439217
tert-Butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate
CID 56962159
(4-Methoxymethylpiperidin-4-yl)carbamic acid tert-butyl ester
CID 67957499
Tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxylate
CID 71305869
Tert-butyl 4-(morpholin-2-yl)piperidine-1-carboxylate
CID 82379218
Tert-butyl 2-(piperidin-4-yl)morpholine-4-carboxylate
CID 82379223
Tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 82380583
Tert-butyl 4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylate
CID 82380584
tert-Butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 84805339

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate (CID 67991811) is tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)COCCN2.
What is the InChIKey of tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is JDCXGSPMQUVCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-4-13(5-8-15)10-17-9-6-14-13/h14H,4-10H2,1-3H3.
What are the key properties of tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate?
tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 67991811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).