tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

C13H22N2O3 — CID 74788415

IUPACtert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C2(CCNC2)C1
InChIInChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-7-4-10(16)13(9-15)5-6-14-8-13/h14H,4-9H2,1-3H3
InChIKeyOTVWZPBRDNHFQV-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.18
Rot. Bonds

About tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 74788415) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID74788415
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nametert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C2(CCNC2)C1
InChIInChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-7-4-10(16)13(9-15)5-6-14-8-13/h14H,4-9H2,1-3H3
InChIKeyOTVWZPBRDNHFQV-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate
CID 83488912
tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82387927
tert-butyl 5-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379509
tert-butyl 4-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488478
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl 6-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 118238455
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate
CID 175821609
tert-butyl 1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 71305513
tert-butyl (3S)-3-fluoro-4-oxo-3-(trifluoromethyl)piperidine-1-carboxylate
CID 135241339
tert-butyl 4,4-dimethyl-5-oxoazepane-1-carboxylate
CID 118230377
tert-butyl (3S)-3-ethyl-3-fluoro-4-oxopiperidine-1-carboxylate
CID 156538156

Frequently Asked Questions

What is the IUPAC name of tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 74788415) is tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)C2(CCNC2)C1.
What is the InChIKey of tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is OTVWZPBRDNHFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-7-4-10(16)13(9-15)5-6-14-8-13/h14H,4-9H2,1-3H3.
What are the key properties of tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate?
tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 74788415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).