methyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate

C11H17NO4 — CID 165447869

IUPACmethyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate
SMILESCOC(=O)C1COC2(COC3(CCC3)C2)N1
InChIInChI=1S/C11H17NO4/c1-14-9(13)8-5-15-11(12-8)6-10(16-7-11)3-2-4-10/h8,12H,2-7H2,1H3
InChIKeyXBNOCDUSXROIIJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.19
Rot. Bonds1

About methyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate

methyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate (PubChem CID 165447869) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate.

Molecular Properties

Compound Namemethyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate
PubChem CID165447869
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namemethyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate
SMILESCOC(=O)C1COC2(COC3(CCC3)C2)N1
InChIInChI=1S/C11H17NO4/c1-14-9(13)8-5-15-11(12-8)6-10(16-7-11)3-2-4-10/h8,12H,2-7H2,1H3
InChIKeyXBNOCDUSXROIIJ-UHFFFAOYSA-N
XLogP0.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate with MolForge

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Related Compounds

methyl 8-hydroxy-1-oxa-4-azaspiro[4.5]decane-3-carboxylate
CID 165447867
methyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate
CID 165444556
ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate
CID 131538145
methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate
CID 105453383
methyl 1-azaspiro[3.4]octane-2-carboxylate
CID 167715027
methyl 5,5-dimethylpyrrolidine-2-carboxylate
CID 75088958
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride
CID 75485453
methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate
CID 112632907
methyl 2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]acetate
CID 79919281
methyl 1-oxaspiro[2.3]hexane-2-carboxylate
CID 81251349
methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate
CID 129359429

Frequently Asked Questions

What is the IUPAC name of methyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate?
The IUPAC name of methyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate (CID 165447869) is methyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate.
What is the SMILES notation for methyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate?
The canonical SMILES for methyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate is COC(=O)C1COC2(COC3(CCC3)C2)N1.
What is the InChIKey of methyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate?
The InChIKey is XBNOCDUSXROIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-14-9(13)8-5-15-11(12-8)6-10(16-7-11)3-2-4-10/h8,12H,2-7H2,1H3.
What are the key properties of methyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate?
methyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate is sourced from PubChem (CID 165447869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).