tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate

C13H23N3O3 — CID 67979785

IUPACtert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(=O)C12CCNCC2
InChIInChI=1S/C13H23N3O3/c1-12(2,3)19-11(18)16-9-8-15-10(17)13(16)4-6-14-7-5-13/h14H,4-9H2,1-3H3,(H,15,17)
InChIKeyPSVGLBFWEFEQON-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.48
Rot. Bonds

About tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate

tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate (PubChem CID 67979785) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
PubChem CID67979785
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(=O)C12CCNCC2
InChIInChI=1S/C13H23N3O3/c1-12(2,3)19-11(18)16-9-8-15-10(17)13(16)4-6-14-7-5-13/h14H,4-9H2,1-3H3,(H,15,17)
InChIKeyPSVGLBFWEFEQON-UHFFFAOYSA-N
XLogP0.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate
CID 139383963
tert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate
CID 167723682
tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
CID 141188760
tert-butyl 1,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 155894383
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
1-acetyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118104160
tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl 1-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 151169776
bis(tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate);oxalic acid
CID 134129817
tert-butyl 7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,2'-azetidine]-1'-carboxylate
CID 170250485

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate?
The IUPAC name of tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate (CID 67979785) is tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate.
What is the SMILES notation for tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate?
The canonical SMILES for tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate is CC(C)(C)OC(=O)N1CCNC(=O)C12CCNCC2.
What is the InChIKey of tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate?
The InChIKey is PSVGLBFWEFEQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-12(2,3)19-11(18)16-9-8-15-10(17)13(16)4-6-14-7-5-13/h14H,4-9H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate?
tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate is sourced from PubChem (CID 67979785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).