tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate

C15H26N2O3 — CID 130625530

IUPACtert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC12CCCNC2=O
InChIInChI=1S/C15H26N2O3/c1-11-10-17(13(19)20-14(2,3)4)9-7-15(11)6-5-8-16-12(15)18/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyXJRGELWXEIUIQK-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.16
Rot. Bonds

About tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate

tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 130625530) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID130625530
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC12CCCNC2=O
InChIInChI=1S/C15H26N2O3/c1-11-10-17(13(19)20-14(2,3)4)9-7-15(11)6-5-8-16-12(15)18/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyXJRGELWXEIUIQK-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355
tert-butyl (1S,5R,6S)-2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-3-carboxylate
CID 131146537
tert-butyl 4-hydroxy-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 86709491
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl (4R,5R)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 97111729
tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 97111728
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 131391492
tert-butyl 2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate
CID 130003309
tert-butyl (3S,4R)-4-hydroxy-3,4-dimethylazepane-1-carboxylate
CID 124523450
tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate
CID 176829956

Frequently Asked Questions

What is the IUPAC name of tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 130625530) is tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate is CC1CN(C(=O)OC(C)(C)C)CCC12CCCNC2=O.
What is the InChIKey of tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is XJRGELWXEIUIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-10-17(13(19)20-14(2,3)4)9-7-15(11)6-5-8-16-12(15)18/h11H,5-10H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 130625530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).