methyl 3-ethoxy-2-methoxypropanoate

C7H14O4 — CID 141379687

IUPACmethyl 3-ethoxy-2-methoxypropanoate
SMILESCCOCC(OC)C(=O)OC
InChIInChI=1S/C7H14O4/c1-4-11-5-6(9-2)7(8)10-3/h6H,4-5H2,1-3H3
InChIKeyAXUJGDOBGJCEBV-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.21
Rot. Bonds5

About methyl 3-ethoxy-2-methoxypropanoate

methyl 3-ethoxy-2-methoxypropanoate (PubChem CID 141379687) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is methyl 3-ethoxy-2-methoxypropanoate.

Molecular Properties

Compound Namemethyl 3-ethoxy-2-methoxypropanoate
PubChem CID141379687
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Namemethyl 3-ethoxy-2-methoxypropanoate
SMILESCCOCC(OC)C(=O)OC
InChIInChI=1S/C7H14O4/c1-4-11-5-6(9-2)7(8)10-3/h6H,4-5H2,1-3H3
InChIKeyAXUJGDOBGJCEBV-UHFFFAOYSA-N
XLogP0.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-ethoxy-2-methoxypropanoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (2R)-2-methoxypentanoate
CID 30403288
methyl 3-bromo-2-methoxypropanoate
CID 13085535
1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate
CID 87696230
methyl 2-methoxyheptanoate
CID 87952097
methyl 3-amino-4-ethoxybutanoate
CID 116821263
methyl (2S)-2-methoxy-4-oxobutanoate
CID 130736035
ethoxyethane;methyl carbamate
CID 18755981
methyl 2-methoxybutanoate;2,2,2-trifluoroacetic acid
CID 87814494
ethyl 2-methoxybutanoate
CID 59767959
(1-ethoxy-3-oxobutan-2-yl) acetate
CID 174525276
dimethyl 3-(ethoxymethyl)pentanedioate
CID 141473703
methyl 3-cyano-2-methoxypropanoate
CID 558532

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethoxy-2-methoxypropanoate?
The IUPAC name of methyl 3-ethoxy-2-methoxypropanoate (CID 141379687) is methyl 3-ethoxy-2-methoxypropanoate.
What is the SMILES notation for methyl 3-ethoxy-2-methoxypropanoate?
The canonical SMILES for methyl 3-ethoxy-2-methoxypropanoate is CCOCC(OC)C(=O)OC.
What is the InChIKey of methyl 3-ethoxy-2-methoxypropanoate?
The InChIKey is AXUJGDOBGJCEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-11-5-6(9-2)7(8)10-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 3-ethoxy-2-methoxypropanoate?
methyl 3-ethoxy-2-methoxypropanoate has a molecular weight of 162.19 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethoxy-2-methoxypropanoate is sourced from PubChem (CID 141379687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).