tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate

C12H19N3O4 — CID 130941465

IUPACtert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C1)NCC(=O)NC2=O
InChIInChI=1S/C12H19N3O4/c1-11(2,3)19-10(18)15-5-4-12(7-15)9(17)14-8(16)6-13-12/h13H,4-7H2,1-3H3,(H,14,16,17)
InChIKeyPRFFLHVKHAQKAB-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.39
Rot. Bonds

About tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate

tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate (PubChem CID 130941465) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate
PubChem CID130941465
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nametert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C1)NCC(=O)NC2=O
InChIInChI=1S/C12H19N3O4/c1-11(2,3)19-10(18)15-5-4-12(7-15)9(17)14-8(16)6-13-12/h13H,4-7H2,1-3H3,(H,14,16,17)
InChIKeyPRFFLHVKHAQKAB-UHFFFAOYSA-N
XLogP-0.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 130597040
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl 2-methyl-3,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 130597122
tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 56973607
tert-butyl 4-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 155892410
tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate
CID 124710760
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 1-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 151169776
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate
CID 165438476

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate (CID 130941465) is tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(C1)NCC(=O)NC2=O.
What is the InChIKey of tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate?
The InChIKey is PRFFLHVKHAQKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-11(2,3)19-10(18)15-5-4-12(7-15)9(17)14-8(16)6-13-12/h13H,4-7H2,1-3H3,(H,14,16,17).
What are the key properties of tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate?
tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate has a molecular weight of 269.30 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 130941465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).