methyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate

C10H17NO3 — CID 165444556

IUPACmethyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate
SMILESCOC(=O)C1COC2(CCC(C)C2)N1
InChIInChI=1S/C10H17NO3/c1-7-3-4-10(5-7)11-8(6-14-10)9(12)13-2/h7-8,11H,3-6H2,1-2H3
InChIKeyNJPLWXMOHKBXLT-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.66
Rot. Bonds1

About methyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate

methyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate (PubChem CID 165444556) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate
PubChem CID165444556
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate
SMILESCOC(=O)C1COC2(CCC(C)C2)N1
InChIInChI=1S/C10H17NO3/c1-7-3-4-10(5-7)11-8(6-14-10)9(12)13-2/h7-8,11H,3-6H2,1-2H3
InChIKeyNJPLWXMOHKBXLT-UHFFFAOYSA-N
XLogP0.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.66
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[4.4]nonane-3-carboxylate?
The IUPAC name of methyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate (CID 165444556) is methyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate.
What is the SMILES notation for methyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate?
The canonical SMILES for methyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate is COC(=O)C1COC2(CCC(C)C2)N1.
What is the InChIKey of methyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate?
The InChIKey is NJPLWXMOHKBXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-3-4-10(5-7)11-8(6-14-10)9(12)13-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of methyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate?
methyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.66, 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[4.4]nonane-3-carboxylate is sourced from PubChem (CID 165444556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).