2-ethoxy-3-hydroxyprop-2-enoic acid

C5H8O4 — CID 150966454

IUPAC2-ethoxy-3-hydroxyprop-2-enoic acid
SMILESCCOC(=CO)C(=O)O
InChIInChI=1S/C5H8O4/c1-2-9-4(3-6)5(7)8/h3,6H,2H2,1H3,(H,7,8)
InChIKeyLNELLKIAWKUOOR-UHFFFAOYSA-N
MW132.12 g/mol
LogP0.51
Rot. Bonds3

About 2-ethoxy-3-hydroxyprop-2-enoic acid

2-ethoxy-3-hydroxyprop-2-enoic acid (PubChem CID 150966454) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is 2-ethoxy-3-hydroxyprop-2-enoic acid.

Molecular Properties

Compound Name2-ethoxy-3-hydroxyprop-2-enoic acid
PubChem CID150966454
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Name2-ethoxy-3-hydroxyprop-2-enoic acid
SMILESCCOC(=CO)C(=O)O
InChIInChI=1S/C5H8O4/c1-2-9-4(3-6)5(7)8/h3,6H,2H2,1H3,(H,7,8)
InChIKeyLNELLKIAWKUOOR-UHFFFAOYSA-N
XLogP0.51
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-ethoxy-3-hydroxyprop-2-enoic 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

(2Z,4E)-2-ethoxy-4-methyl-5-methylsulfanylpenta-2,4-dienoic acid
CID 143260584
3,4-diethoxyhexa-2,4-diene
CID 141009141
2-ethoxy-3-(4-ethylphenyl)prop-2-enoic acid
CID 139651424
3-(4-acetylphenyl)-2-ethoxyprop-2-enoic acid
CID 139651231
diethyl (2Z)-2-(hydroxymethylidene)butanedioate
CID 6003327
ethyl (E)-2-(diethoxymethyl)-3-hydroxyprop-2-enoate
CID 89407556
ethyl 3-hydroxy-2-(trifluoromethyl)prop-2-enoate
CID 174696365
CID 131876272
CID 131876272
ethyl hydrogen carbonate;sulfane
CID 174718172
(Z)-2-ethoxypent-2-enamide
CID 87204332
(E)-4-ethoxy-2,3-dimethyl-4-oxobut-2-enoic acid;hydrochloride
CID 88651089
ethyl (2E)-2-(hydroxymethylidene)-3-oxobutanoate
CID 11073689

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-hydroxyprop-2-enoic acid?
The IUPAC name of 2-ethoxy-3-hydroxyprop-2-enoic acid (CID 150966454) is 2-ethoxy-3-hydroxyprop-2-enoic acid.
What is the SMILES notation for 2-ethoxy-3-hydroxyprop-2-enoic acid?
The canonical SMILES for 2-ethoxy-3-hydroxyprop-2-enoic acid is CCOC(=CO)C(=O)O.
What is the InChIKey of 2-ethoxy-3-hydroxyprop-2-enoic acid?
The InChIKey is LNELLKIAWKUOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-2-9-4(3-6)5(7)8/h3,6H,2H2,1H3,(H,7,8).
What are the key properties of 2-ethoxy-3-hydroxyprop-2-enoic acid?
2-ethoxy-3-hydroxyprop-2-enoic acid has a molecular weight of 132.12 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-hydroxyprop-2-enoic acid is sourced from PubChem (CID 150966454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).