4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid

C10H14O7 — CID 18971053

IUPAC4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid
SMILESC=C(C)C(=O)OC(CC(=O)O)C(=O)OCCO
InChIInChI=1S/C10H14O7/c1-6(2)9(14)17-7(5-8(12)13)10(15)16-4-3-11/h7,11H,1,3-5H2,2H3,(H,12,13)
InChIKeyLYLFKSXHYOOSCU-UHFFFAOYSA-N
MW246.21 g/mol
LogP-0.52
Rot. Bonds7

About 4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid

4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid (PubChem CID 18971053) has the molecular formula C10H14O7 and a molecular weight of 246.21 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid
PubChem CID18971053
Molecular FormulaC10H14O7
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Name4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid
SMILESC=C(C)C(=O)OC(CC(=O)O)C(=O)OCCO
InChIInChI=1S/C10H14O7/c1-6(2)9(14)17-7(5-8(12)13)10(15)16-4-3-11/h7,11H,1,3-5H2,2H3,(H,12,13)
InChIKeyLYLFKSXHYOOSCU-UHFFFAOYSA-N
XLogP-0.52
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid 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 4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid?
The IUPAC name of 4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid (CID 18971053) is 4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid?
The canonical SMILES for 4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid is C=C(C)C(=O)OC(CC(=O)O)C(=O)OCCO.
What is the InChIKey of 4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid?
The InChIKey is LYLFKSXHYOOSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O7/c1-6(2)9(14)17-7(5-8(12)13)10(15)16-4-3-11/h7,11H,1,3-5H2,2H3,(H,12,13).
What are the key properties of 4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid?
4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid has a molecular weight of 246.21 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-3-(2-methylprop-2-enoyloxy)-4-oxobutanoic acid is sourced from PubChem (CID 18971053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).