tert-butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate

C14H24N2O3 — CID 71305780

IUPACtert-butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(=O)NC2)CC1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-8-6-14(7-9-16)5-4-11(17)15-10-14/h4-10H2,1-3H3,(H,15,17)
InChIKeyRVORUJPDSDOBTI-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.91
Rot. Bonds

About tert-butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate

tert-butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 71305780) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID71305780
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(=O)NC2)CC1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-8-6-14(7-9-16)5-4-11(17)15-10-14/h4-10H2,1-3H3,(H,15,17)
InChIKeyRVORUJPDSDOBTI-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.91
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-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 71305780) is tert-butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCC(=O)NC2)CC1.
What is the InChIKey of tert-butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is RVORUJPDSDOBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-8-6-14(7-9-16)5-4-11(17)15-10-14/h4-10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
tert-butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.91, 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-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 71305780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).