tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

C11H18N2O3 — CID 71306068

IUPACtert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCNC2=O)C1
InChIInChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-6-11(7-13)4-5-12-8(11)14/h4-7H2,1-3H3,(H,12,14)
InChIKeyLGNYYNZLVBXFOT-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.74
Rot. Bonds

About tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate (PubChem CID 71306068) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
PubChem CID71306068
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nametert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCNC2=O)C1
InChIInChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-6-11(7-13)4-5-12-8(11)14/h4-7H2,1-3H3,(H,12,14)
InChIKeyLGNYYNZLVBXFOT-UHFFFAOYSA-N
XLogP0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate (CID 71306068) is tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CCNC2=O)C1.
What is the InChIKey of tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
The InChIKey is LGNYYNZLVBXFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-6-11(7-13)4-5-12-8(11)14/h4-7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 71306068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).