tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate

C13H21NO3 — CID 139533484

IUPACtert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCC2)C1=O
InChIInChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-9-8-13(10(14)15)6-4-5-7-13/h4-9H2,1-3H3
InChIKeyGZLXWGWGLULYAN-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.71
Rot. Bonds

About tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate

tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate (PubChem CID 139533484) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate
PubChem CID139533484
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nametert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCC2)C1=O
InChIInChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-9-8-13(10(14)15)6-4-5-7-13/h4-9H2,1-3H3
InChIKeyGZLXWGWGLULYAN-UHFFFAOYSA-N
XLogP2.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate
CID 123959315
tert-butyl 3-hydroxy-3-(2-methylphenyl)-2-oxopyrrolidine-1-carboxylate
CID 142697827
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate
CID 171814919
tert-butyl (5S,9S)-9-methyl-4-oxo-8-azaspiro[4.5]decane-8-carboxylate
CID 176830182
tert-butyl 5-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379509
tert-butyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 14371816
tert-butyl (9E)-9-(2-methoxy-2-oxoethylidene)-8-azaspiro[4.5]decane-8-carboxylate
CID 162398571
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate (CID 139533484) is tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCCC2)C1=O.
What is the InChIKey of tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate?
The InChIKey is GZLXWGWGLULYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-9-8-13(10(14)15)6-4-5-7-13/h4-9H2,1-3H3.
What are the key properties of tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate?
tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 139533484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).