ethyl 2-hydroxy-5-oxofuran-2-carboxylate

C7H8O5 — CID 142271084

IUPACethyl 2-hydroxy-5-oxofuran-2-carboxylate
SMILESCCOC(=O)C1(O)C=CC(=O)O1
InChIInChI=1S/C7H8O5/c1-2-11-6(9)7(10)4-3-5(8)12-7/h3-4,10H,2H2,1H3
InChIKeySFLZBWCKONMNKK-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.65
Rot. Bonds2

About ethyl 2-hydroxy-5-oxofuran-2-carboxylate

ethyl 2-hydroxy-5-oxofuran-2-carboxylate (PubChem CID 142271084) has the molecular formula C7H8O5 and a molecular weight of 172.14 g/mol. Its IUPAC name is ethyl 2-hydroxy-5-oxofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-5-oxofuran-2-carboxylate
PubChem CID142271084
Molecular FormulaC7H8O5
Molecular Weight172.14 g/mol
Exact Mass172.04
IUPAC Nameethyl 2-hydroxy-5-oxofuran-2-carboxylate
SMILESCCOC(=O)C1(O)C=CC(=O)O1
InChIInChI=1S/C7H8O5/c1-2-11-6(9)7(10)4-3-5(8)12-7/h3-4,10H,2H2,1H3
InChIKeySFLZBWCKONMNKK-UHFFFAOYSA-N
XLogP-0.65
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-hydroxy-5-oxofuran-2-carboxylate 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 ethyl 2-hydroxy-5-oxofuran-2-carboxylate?
The IUPAC name of ethyl 2-hydroxy-5-oxofuran-2-carboxylate (CID 142271084) is ethyl 2-hydroxy-5-oxofuran-2-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-5-oxofuran-2-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-5-oxofuran-2-carboxylate is CCOC(=O)C1(O)C=CC(=O)O1.
What is the InChIKey of ethyl 2-hydroxy-5-oxofuran-2-carboxylate?
The InChIKey is SFLZBWCKONMNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5/c1-2-11-6(9)7(10)4-3-5(8)12-7/h3-4,10H,2H2,1H3.
What are the key properties of ethyl 2-hydroxy-5-oxofuran-2-carboxylate?
ethyl 2-hydroxy-5-oxofuran-2-carboxylate has a molecular weight of 172.14 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-5-oxofuran-2-carboxylate is sourced from PubChem (CID 142271084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).