2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

C12H21NO4 — CID 131669244

IUPAC2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESCCOCC(=O)N1CC2(C1)OCCC2COC
InChIInChI=1S/C12H21NO4/c1-3-16-7-11(14)13-8-12(9-13)10(6-15-2)4-5-17-12/h10H,3-9H2,1-2H3
InChIKeyVUOLKTPMPOKGJV-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.29
Rot. Bonds5

About 2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 131669244) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
PubChem CID131669244
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESCCOCC(=O)N1CC2(C1)OCCC2COC
InChIInChI=1S/C12H21NO4/c1-3-16-7-11(14)13-8-12(9-13)10(6-15-2)4-5-17-12/h10H,3-9H2,1-2H3
InChIKeyVUOLKTPMPOKGJV-UHFFFAOYSA-N
XLogP0.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-ethoxyacetyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide
CID 131669248
2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131669103
1-[8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(2-methylphenyl)ethanone
CID 131649671
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
2-(4-methylphenoxy)-1-[(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124816385
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
CID 131663288
(8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124796737
2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509876
3-methoxy-1-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]propan-1-one
CID 124796368
3-methyl-1-[8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one
CID 131669286
[8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
CID 131658029

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (CID 131669244) is 2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is CCOCC(=O)N1CC2(C1)OCCC2COC.
What is the InChIKey of 2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is VUOLKTPMPOKGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-16-7-11(14)13-8-12(9-13)10(6-15-2)4-5-17-12/h10H,3-9H2,1-2H3.
What are the key properties of 2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 243.30 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 131669244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).