tert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

C13H22N2O3 — CID 71304662

IUPACtert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CNC(=O)C2)C1
InChIInChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-6-4-5-13(9-15)7-10(16)14-8-13/h4-9H2,1-3H3,(H,14,16)
InChIKeyTXCCTNIYGSOUBI-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.52
Rot. Bonds

About tert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

tert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 71304662) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID71304662
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nametert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CNC(=O)C2)C1
InChIInChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-6-4-5-13(9-15)7-10(16)14-8-13/h4-9H2,1-3H3,(H,14,16)
InChIKeyTXCCTNIYGSOUBI-UHFFFAOYSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of tert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 71304662) is tert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CNC(=O)C2)C1.
What is the InChIKey of tert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is TXCCTNIYGSOUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-6-4-5-13(9-15)7-10(16)14-8-13/h4-9H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate?
tert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 71304662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).