methyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate

C11H19NO3 — CID 146082467

IUPACmethyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)C1CCC2(CCOCC2)NC1
InChIInChI=1S/C11H19NO3/c1-14-10(13)9-2-3-11(12-8-9)4-6-15-7-5-11/h9,12H,2-8H2,1H3
InChIKeyPXVSPYZOURIRLI-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.71
Rot. Bonds1

About methyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate

methyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate (PubChem CID 146082467) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate
PubChem CID146082467
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)C1CCC2(CCOCC2)NC1
InChIInChI=1S/C11H19NO3/c1-14-10(13)9-2-3-11(12-8-9)4-6-15-7-5-11/h9,12H,2-8H2,1H3
InChIKeyPXVSPYZOURIRLI-UHFFFAOYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of methyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate (CID 146082467) is methyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for methyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for methyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate is COC(=O)C1CCC2(CCOCC2)NC1.
What is the InChIKey of methyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate?
The InChIKey is PXVSPYZOURIRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-10(13)9-2-3-11(12-8-9)4-6-15-7-5-11/h9,12H,2-8H2,1H3.
What are the key properties of methyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate?
methyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-oxa-1-azaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 146082467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).