3-ethenoxy-2-methyl-3-oxopropanoic acid

C6H8O4 — CID 139933111

IUPAC3-ethenoxy-2-methyl-3-oxopropanoic acid
SMILESC=COC(=O)C(C)C(=O)O
InChIInChI=1S/C6H8O4/c1-3-10-6(9)4(2)5(7)8/h3-4H,1H2,2H3,(H,7,8)
InChIKeyZPAJUWSSLMXLQS-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.39
Rot. Bonds3

About 3-ethenoxy-2-methyl-3-oxopropanoic acid

3-ethenoxy-2-methyl-3-oxopropanoic acid (PubChem CID 139933111) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 3-ethenoxy-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-ethenoxy-2-methyl-3-oxopropanoic acid
PubChem CID139933111
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name3-ethenoxy-2-methyl-3-oxopropanoic acid
SMILESC=COC(=O)C(C)C(=O)O
InChIInChI=1S/C6H8O4/c1-3-10-6(9)4(2)5(7)8/h3-4H,1H2,2H3,(H,7,8)
InChIKeyZPAJUWSSLMXLQS-UHFFFAOYSA-N
XLogP0.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-ethenoxy-2-methyl-3-oxopropanoic acid 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

ethenyl 2-aminopropanoate
CID 23374910
3-chloro-2-methylbut-3-enoic acid;ethenyl acetate
CID 174859664
3-but-3-enoxy-2-methyl-3-oxopropanoic acid
CID 130296980
ethenyl 2,2-dihydroxyacetate
CID 172859398
3-boronooxy-2-methyl-3-oxopropanoic acid
CID 174983225
ethene;ethenyl acetate;2-hydroxypropanoic acid
CID 174695365
ethenyl 3,3,3-trifluoro-2-methylpropanoate
CID 174926990
ethenyl 2-phenylpropanoate
CID 11116578
ethenyl (2S)-2-amino-4-methylpentanoate
CID 57471579
[1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate
CID 163510228
ethenyl 4-hydroxy-2-methylbutanoate
CID 174580533
ethenyl 2,2-diacetyloxyacetate
CID 88828479

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-ethenoxy-2-methyl-3-oxopropanoic acid (CID 139933111) is 3-ethenoxy-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-ethenoxy-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-ethenoxy-2-methyl-3-oxopropanoic acid is C=COC(=O)C(C)C(=O)O.
What is the InChIKey of 3-ethenoxy-2-methyl-3-oxopropanoic acid?
The InChIKey is ZPAJUWSSLMXLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-3-10-6(9)4(2)5(7)8/h3-4H,1H2,2H3,(H,7,8).
What are the key properties of 3-ethenoxy-2-methyl-3-oxopropanoic acid?
3-ethenoxy-2-methyl-3-oxopropanoic acid has a molecular weight of 144.13 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 139933111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).