tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate

C13H22N2O3 — CID 141188760

IUPACtert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC12CCCC2=O
InChIInChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-8-7-14-9-13(15)6-4-5-10(13)16/h14H,4-9H2,1-3H3
InChIKeyFYFNLMUIWDXUFZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.32
Rot. Bonds

About tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate

tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate (PubChem CID 141188760) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
PubChem CID141188760
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nametert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC12CCCC2=O
InChIInChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-8-7-14-9-13(15)6-4-5-10(13)16/h14H,4-9H2,1-3H3
InChIKeyFYFNLMUIWDXUFZ-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate with MolForge

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Related Compounds

tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate
CID 139383963
tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
CID 67979785
tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
bis(tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate);oxalic acid
CID 134129817
tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate
CID 83488912
ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate
CID 86337386
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 69456813
tert-butyl 5-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379509
tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 74788415
bis(tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate);oxalic acid
CID 91800935
tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate
CID 71741473
tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid
CID 118705199

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate?
The IUPAC name of tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate (CID 141188760) is tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate.
What is the SMILES notation for tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate?
The canonical SMILES for tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate is CC(C)(C)OC(=O)N1CCNCC12CCCC2=O.
What is the InChIKey of tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate?
The InChIKey is FYFNLMUIWDXUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-8-7-14-9-13(15)6-4-5-10(13)16/h14H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate?
tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate is sourced from PubChem (CID 141188760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).