2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid

C7H8O6 — CID 142856651

IUPAC2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid
SMILESO=C1CC(C(O)C(=O)O)C(O)=C1O
InChIInChI=1S/C7H8O6/c8-3-1-2(4(9)6(3)11)5(10)7(12)13/h2,5,9-11H,1H2,(H,12,13)
InChIKeySTQCOVRYYOCAOT-UHFFFAOYSA-N
MW188.13 g/mol
LogP-0.65
Rot. Bonds2

About 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid

2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid (PubChem CID 142856651) has the molecular formula C7H8O6 and a molecular weight of 188.13 g/mol. Its IUPAC name is 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid
PubChem CID142856651
Molecular FormulaC7H8O6
Molecular Weight188.13 g/mol
Exact Mass188.03
IUPAC Name2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid
SMILESO=C1CC(C(O)C(=O)O)C(O)=C1O
InChIInChI=1S/C7H8O6/c8-3-1-2(4(9)6(3)11)5(10)7(12)13/h2,5,9-11H,1H2,(H,12,13)
InChIKeySTQCOVRYYOCAOT-UHFFFAOYSA-N
XLogP-0.65
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid (CID 142856651) is 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid is O=C1CC(C(O)C(=O)O)C(O)=C1O.
What is the InChIKey of 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid?
The InChIKey is STQCOVRYYOCAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O6/c8-3-1-2(4(9)6(3)11)5(10)7(12)13/h2,5,9-11H,1H2,(H,12,13).
What are the key properties of 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid?
2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid has a molecular weight of 188.13 g/mol, XLogP of -0.65, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 142856651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).