4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid

C11H14O8 — CID 163978922

IUPAC4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)OCC(O)C1CC(=O)C(O)=C1O
InChIInChI=1S/C11H14O8/c12-6-3-5(10(17)11(6)18)7(13)4-19-9(16)2-1-8(14)15/h5,7,13,17-18H,1-4H2,(H,14,15)
InChIKeySWQCVSOWPSMCEK-UHFFFAOYSA-N
MW274.22 g/mol
LogP-0.33
Rot. Bonds6

About 4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid

4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid (PubChem CID 163978922) has the molecular formula C11H14O8 and a molecular weight of 274.22 g/mol. Its IUPAC name is 4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid
PubChem CID163978922
Molecular FormulaC11H14O8
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)OCC(O)C1CC(=O)C(O)=C1O
InChIInChI=1S/C11H14O8/c12-6-3-5(10(17)11(6)18)7(13)4-19-9(16)2-1-8(14)15/h5,7,13,17-18H,1-4H2,(H,14,15)
InChIKeySWQCVSOWPSMCEK-UHFFFAOYSA-N
XLogP-0.33
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid?
The IUPAC name of 4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid (CID 163978922) is 4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid is O=C(O)CCC(=O)OCC(O)C1CC(=O)C(O)=C1O.
What is the InChIKey of 4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid?
The InChIKey is SWQCVSOWPSMCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O8/c12-6-3-5(10(17)11(6)18)7(13)4-19-9(16)2-1-8(14)15/h5,7,13,17-18H,1-4H2,(H,14,15).
What are the key properties of 4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid?
4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid has a molecular weight of 274.22 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethoxy]-4-oxobutanoic acid is sourced from PubChem (CID 163978922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).