methyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate

C11H19NO3 — CID 165447805

IUPACmethyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)C1COC2(CCC(C)CC2)N1
InChIInChI=1S/C11H19NO3/c1-8-3-5-11(6-4-8)12-9(7-15-11)10(13)14-2/h8-9,12H,3-7H2,1-2H3
InChIKeyGLKYICMJACMJDH-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.05
Rot. Bonds1

About methyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate

methyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate (PubChem CID 165447805) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate
PubChem CID165447805
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)C1COC2(CCC(C)CC2)N1
InChIInChI=1S/C11H19NO3/c1-8-3-5-11(6-4-8)12-9(7-15-11)10(13)14-2/h8-9,12H,3-7H2,1-2H3
InChIKeyGLKYICMJACMJDH-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate?
The IUPAC name of methyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate (CID 165447805) is methyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for methyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for methyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate is COC(=O)C1COC2(CCC(C)CC2)N1.
What is the InChIKey of methyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate?
The InChIKey is GLKYICMJACMJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-3-5-11(6-4-8)12-9(7-15-11)10(13)14-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of methyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate?
methyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 165447805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).