tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate

C15H26N2O3 — CID 59373529

IUPACtert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC1(C)CC2(CCCN(C(=O)OC(C)(C)C)C2)C(=O)N1
InChIInChI=1S/C15H26N2O3/c1-13(2,3)20-12(19)17-8-6-7-15(10-17)9-14(4,5)16-11(15)18/h6-10H2,1-5H3,(H,16,18)
InChIKeyGUEYIMXWTYZYNR-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.30
Rot. Bonds

About tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate

tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 59373529) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID59373529
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC1(C)CC2(CCCN(C(=O)OC(C)(C)C)C2)C(=O)N1
InChIInChI=1S/C15H26N2O3/c1-13(2,3)20-12(19)17-8-6-7-15(10-17)9-14(4,5)16-11(15)18/h6-10H2,1-5H3,(H,16,18)
InChIKeyGUEYIMXWTYZYNR-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355
tert-butyl 4-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488478
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate
CID 83488912
tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate
CID 86318513
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
CID 91303115
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate
CID 123836479

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate (CID 59373529) is tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate is CC1(C)CC2(CCCN(C(=O)OC(C)(C)C)C2)C(=O)N1.
What is the InChIKey of tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is GUEYIMXWTYZYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-13(2,3)20-12(19)17-8-6-7-15(10-17)9-14(4,5)16-11(15)18/h6-10H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 59373529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).