tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate

C14H24N2O3 — CID 83488912

IUPACtert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(=O)C2(CCNC2)C1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-8-4-5-11(17)14(10-16)6-7-15-9-14/h15H,4-10H2,1-3H3
InChIKeyOWIDSBISIZIEAK-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.57
Rot. Bonds

About tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate

tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate (PubChem CID 83488912) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate
PubChem CID83488912
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(=O)C2(CCNC2)C1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-8-4-5-11(17)14(10-16)6-7-15-9-14/h15H,4-10H2,1-3H3
InChIKeyOWIDSBISIZIEAK-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate with MolForge

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Related Compounds

tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 74788415
tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82387927
tert-butyl 4-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488478
tert-butyl 5-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379509
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373529
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355
tert-butyl 6-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 118238455
tert-butyl 3,3-difluoro-1,5-diazonane-1-carboxylate
CID 138987888
tert-butyl 1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 71305513
tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
CID 141188760

Frequently Asked Questions

What is the IUPAC name of tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate?
The IUPAC name of tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate (CID 83488912) is tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate.
What is the SMILES notation for tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate?
The canonical SMILES for tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate is CC(C)(C)OC(=O)N1CCCC(=O)C2(CCNC2)C1.
What is the InChIKey of tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate?
The InChIKey is OWIDSBISIZIEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-8-4-5-11(17)14(10-16)6-7-15-9-14/h15H,4-10H2,1-3H3.
What are the key properties of tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate?
tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate is sourced from PubChem (CID 83488912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).