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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).