methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate

C8H10O6 — CID 71206230

IUPACmethyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)C1CC(=O)C(O)=C1O
InChIInChI=1S/C8H10O6/c1-14-8(13)6(11)3-2-4(9)7(12)5(3)10/h3,6,10-12H,2H2,1H3
InChIKeyYPOMLTRWGMXUDC-UHFFFAOYSA-N
MW202.16 g/mol
LogP-0.56
Rot. Bonds2

About methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate

methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate (PubChem CID 71206230) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate
PubChem CID71206230
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Namemethyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)C1CC(=O)C(O)=C1O
InChIInChI=1S/C8H10O6/c1-14-8(13)6(11)3-2-4(9)7(12)5(3)10/h3,6,10-12H,2H2,1H3
InChIKeyYPOMLTRWGMXUDC-UHFFFAOYSA-N
XLogP-0.56
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate (CID 71206230) is methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate is COC(=O)C(O)C1CC(=O)C(O)=C1O.
What is the InChIKey of methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate?
The InChIKey is YPOMLTRWGMXUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6/c1-14-8(13)6(11)3-2-4(9)7(12)5(3)10/h3,6,10-12H,2H2,1H3.
What are the key properties of methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate?
methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate has a molecular weight of 202.16 g/mol, XLogP of -0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate is sourced from PubChem (CID 71206230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).