tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate

C14H23NO4 — CID 57493827

IUPACtert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CCO2
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-7-5-14(6-8-15)10-11(16)4-9-18-14/h4-10H2,1-3H3
InChIKeyOGPIVLKPBUTGSD-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.14
Rot. Bonds

About tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate

tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate (PubChem CID 57493827) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
PubChem CID57493827
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nametert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CCO2
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-7-5-14(6-8-15)10-11(16)4-9-18-14/h4-10H2,1-3H3
InChIKeyOGPIVLKPBUTGSD-UHFFFAOYSA-N
XLogP2.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate (CID 57493827) is tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CCO2.
What is the InChIKey of tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The InChIKey is OGPIVLKPBUTGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-7-5-14(6-8-15)10-11(16)4-9-18-14/h4-10H2,1-3H3.
What are the key properties of tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 57493827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).