ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate

C13H23NO3 — CID 123369581

IUPACethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate
SMILESCCOC(=O)CC1COC2(CCN(C)CC2)C1
InChIInChI=1S/C13H23NO3/c1-3-16-12(15)8-11-9-13(17-10-11)4-6-14(2)7-5-13/h11H,3-10H2,1-2H3
InChIKeyDEHYCXFTGLLFMG-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.44
Rot. Bonds3

About ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate

ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate (PubChem CID 123369581) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate
PubChem CID123369581
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate
SMILESCCOC(=O)CC1COC2(CCN(C)CC2)C1
InChIInChI=1S/C13H23NO3/c1-3-16-12(15)8-11-9-13(17-10-11)4-6-14(2)7-5-13/h11H,3-10H2,1-2H3
InChIKeyDEHYCXFTGLLFMG-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate
CID 59843350
ethyl 2-(2,2,6,6-tetramethyloxan-4-yl)acetate
CID 54474466
(Z)-but-2-enedioic acid;8-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 67712534
ethyl (3R)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487951
ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate
CID 69067707
ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487950
diethyl 1-methylpiperidine-4,4-dicarboxylate
CID 121001338
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97474158
ethyl 2-(1-iodopiperidin-4-yl)acetate
CID 122597467
methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate (CID 123369581) is ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate is CCOC(=O)CC1COC2(CCN(C)CC2)C1.
What is the InChIKey of ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate?
The InChIKey is DEHYCXFTGLLFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-16-12(15)8-11-9-13(17-10-11)4-6-14(2)7-5-13/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate?
ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate has a molecular weight of 241.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 123369581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).