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

C14H24N2O3 — CID 82379511

IUPACtert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CCN2
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-8-5-14(6-9-16)10-11(17)4-7-15-14/h15H,4-10H2,1-3H3
InChIKeyNRRFSQWSLMVOII-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.71
Rot. Bonds

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

tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 82379511) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID82379511
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CCN2
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-8-5-14(6-9-16)10-11(17)4-7-15-14/h15H,4-10H2,1-3H3
InChIKeyNRRFSQWSLMVOII-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate
CID 25212666
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160805551
tert-butyl 4,4-dimethyl-5-oxoazepane-1-carboxylate
CID 118230377
tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 56973607
tert-butyl 5-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379509
tert-butyl 4-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 155892410
tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate
CID 82623314
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate
CID 124710760
tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 115048250
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 2-methyl-3,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 130597122

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate (CID 82379511) is tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CCN2.
What is the InChIKey of tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is NRRFSQWSLMVOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-8-5-14(6-9-16)10-11(17)4-7-15-14/h15H,4-10H2,1-3H3.
What are the key properties of tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate?
tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 82379511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).