tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate

C14H24N2O3 — CID 130765018

IUPACtert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC12CCNC(=O)CC2
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-10-4-6-14(16)7-5-11(17)15-9-8-14/h4-10H2,1-3H3,(H,15,17)
InChIKeyXNNYABRSNDVTTP-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.06
Rot. Bonds

About tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate

tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate (PubChem CID 130765018) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate
PubChem CID130765018
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC12CCNC(=O)CC2
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-10-4-6-14(16)7-5-11(17)15-9-8-14/h4-10H2,1-3H3,(H,15,17)
InChIKeyXNNYABRSNDVTTP-UHFFFAOYSA-N
XLogP2.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 8-oxo-1-azaspiro[4.4]nonane-1-carboxylate
CID 135395018
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971
bis(tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate);oxalic acid
CID 91800935
tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162
tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate
CID 170907562
tert-butyl 4-oxo-1,5-diazonane-1-carboxylate
CID 14106150
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
CID 56962184
tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate
CID 139383963
tert-butyl 2-cyano-5-azaspiro[3.4]octane-5-carboxylate
CID 56962171
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402
tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 134506707
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate?
The IUPAC name of tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate (CID 130765018) is tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate.
What is the SMILES notation for tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate?
The canonical SMILES for tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate is CC(C)(C)OC(=O)N1CCCC12CCNC(=O)CC2.
What is the InChIKey of tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate?
The InChIKey is XNNYABRSNDVTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-10-4-6-14(16)7-5-11(17)15-9-8-14/h4-10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate?
tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate is sourced from PubChem (CID 130765018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).