methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate

C10H17NO4 — CID 110396649

IUPACmethyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate
SMILESCOC(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C10H17NO4/c1-13-9(12)11-5-3-10(4-6-11)14-7-2-8-15-10/h2-8H2,1H3
InChIKeyYZBANXPEQOBRRO-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.98
Rot. Bonds

About methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate

methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate (PubChem CID 110396649) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate
PubChem CID110396649
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate
SMILESCOC(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C10H17NO4/c1-13-9(12)11-5-3-10(4-6-11)14-7-2-8-15-10/h2-8H2,1H3
InChIKeyYZBANXPEQOBRRO-UHFFFAOYSA-N
XLogP0.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate with MolForge

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Related Compounds

methyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130662307
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methoxypropan-1-one
CID 115588850
methyl 4,4-dimethoxypiperidine-1-carboxylate
CID 84581625
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079
methyl morpholine-4-carboxylate
CID 12575354
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3,4,5-trimethoxyphenyl)methanone
CID 90510481
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941979
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103520062
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one
CID 122136542
(3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110396652
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone
CID 78917556
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958396

Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate (CID 110396649) is methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate is COC(=O)N1CCC2(CC1)OCCCO2.
What is the InChIKey of methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate?
The InChIKey is YZBANXPEQOBRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-13-9(12)11-5-3-10(4-6-11)14-7-2-8-15-10/h2-8H2,1H3.
What are the key properties of methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate?
methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 110396649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).