methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate

C9H15NO4 — CID 105453383

IUPACmethyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)C1COCC2(CCOC2)N1
InChIInChI=1S/C9H15NO4/c1-12-8(11)7-4-14-6-9(10-7)2-3-13-5-9/h7,10H,2-6H2,1H3
InChIKeyNJZWNVMZVBRTES-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.69
Rot. Bonds1

About methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate

methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate (PubChem CID 105453383) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namemethyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate
PubChem CID105453383
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)C1COCC2(CCOC2)N1
InChIInChI=1S/C9H15NO4/c1-12-8(11)7-4-14-6-9(10-7)2-3-13-5-9/h7,10H,2-6H2,1H3
InChIKeyNJZWNVMZVBRTES-UHFFFAOYSA-N
XLogP-0.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-azaspiro[3.4]octane-2-carboxylate
CID 167715027
methyl 8-hydroxy-1-oxa-4-azaspiro[4.5]decane-3-carboxylate
CID 165447867
methyl 10,12-dioxa-7-azadispiro[3.1.46.24]dodecane-8-carboxylate
CID 165447869
methyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 42614245
tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate
CID 167720735
ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate
CID 97295072
methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate
CID 141446845
methyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride
CID 167719622
methyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate
CID 165444556
methyl 5-cyclopentylmorpholine-3-carboxylate
CID 105466772
methyl 5,5-dimethylpyrrolidine-2-carboxylate
CID 75088958
methyl (2S)-aziridine-2-carboxylate
CID 10329257

Frequently Asked Questions

What is the IUPAC name of methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate?
The IUPAC name of methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate (CID 105453383) is methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate is COC(=O)C1COCC2(CCOC2)N1.
What is the InChIKey of methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate?
The InChIKey is NJZWNVMZVBRTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-12-8(11)7-4-14-6-9(10-7)2-3-13-5-9/h7,10H,2-6H2,1H3.
What are the key properties of methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate?
methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate has a molecular weight of 201.22 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 105453383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).