3-(5-oxo-2H-furan-3-yl)propanoic acid

C7H8O4 — CID 146020720

IUPAC3-(5-oxo-2H-furan-3-yl)propanoic acid
SMILESO=C(O)CCC1=CC(=O)OC1
InChIInChI=1S/C7H8O4/c8-6(9)2-1-5-3-7(10)11-4-5/h3H,1-2,4H2,(H,8,9)
InChIKeyXUQCBYZGDYEWOH-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.33
Rot. Bonds3

About 3-(5-oxo-2H-furan-3-yl)propanoic acid

3-(5-oxo-2H-furan-3-yl)propanoic acid (PubChem CID 146020720) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 3-(5-oxo-2H-furan-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-oxo-2H-furan-3-yl)propanoic acid
PubChem CID146020720
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name3-(5-oxo-2H-furan-3-yl)propanoic acid
SMILESO=C(O)CCC1=CC(=O)OC1
InChIInChI=1S/C7H8O4/c8-6(9)2-1-5-3-7(10)11-4-5/h3H,1-2,4H2,(H,8,9)
InChIKeyXUQCBYZGDYEWOH-UHFFFAOYSA-N
XLogP0.33
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-oxo-2H-furan-3-yl)propanoic 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 3-(5-oxo-2H-furan-3-yl)propanoic acid?
The IUPAC name of 3-(5-oxo-2H-furan-3-yl)propanoic acid (CID 146020720) is 3-(5-oxo-2H-furan-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-oxo-2H-furan-3-yl)propanoic acid?
The canonical SMILES for 3-(5-oxo-2H-furan-3-yl)propanoic acid is O=C(O)CCC1=CC(=O)OC1.
What is the InChIKey of 3-(5-oxo-2H-furan-3-yl)propanoic acid?
The InChIKey is XUQCBYZGDYEWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c8-6(9)2-1-5-3-7(10)11-4-5/h3H,1-2,4H2,(H,8,9).
What are the key properties of 3-(5-oxo-2H-furan-3-yl)propanoic acid?
3-(5-oxo-2H-furan-3-yl)propanoic acid has a molecular weight of 156.14 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxo-2H-furan-3-yl)propanoic acid is sourced from PubChem (CID 146020720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).