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Tert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

C18H32N2O4 — CID 154237182

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCCC(C)(C)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)OCC1=O
InChIInChI=1S/C18H32N2O4/c1-7-17(5,6)20-13-18(23-12-14(20)21)8-10-19(11-9-18)15(22)24-16(2,3)4/h7-13H2,1-6H3
InChIKeyBEUJTYBGLABJSE-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.80
Rot. Bonds2

About Tert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

Tert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 154237182) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is tert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound NameTert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID154237182
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Nametert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCCC(C)(C)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)OCC1=O
InChIInChI=1S/C18H32N2O4/c1-7-17(5,6)20-13-18(23-12-14(20)21)8-10-19(11-9-18)15(22)24-16(2,3)4/h7-13H2,1-6H3
InChIKeyBEUJTYBGLABJSE-UHFFFAOYSA-N
XLogP2.80
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of Tert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate (CID 154237182) is tert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for Tert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for Tert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate is CCC(C)(C)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)OCC1=O.
What is the InChIKey of Tert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is BEUJTYBGLABJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-7-17(5,6)20-13-18(23-12-14(20)21)8-10-19(11-9-18)15(22)24-16(2,3)4/h7-13H2,1-6H3.
What are the key properties of Tert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
Tert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 340.46 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 154237182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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