(5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid

C8H8O5 — CID 131142787

IUPAC(5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid
SMILESCC(=O)O[C@@H]1CC(=O)C=C1C(=O)O
InChIInChI=1S/C8H8O5/c1-4(9)13-7-3-5(10)2-6(7)8(11)12/h2,7H,3H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyVDKGHTIQHFKGEV-SSDOTTSWSA-N
MW184.15 g/mol
LogP-0.10
Rot. Bonds2

About (5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid

(5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid (PubChem CID 131142787) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is (5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name(5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid
PubChem CID131142787
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name(5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid
SMILESCC(=O)O[C@@H]1CC(=O)C=C1C(=O)O
InChIInChI=1S/C8H8O5/c1-4(9)13-7-3-5(10)2-6(7)8(11)12/h2,7H,3H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyVDKGHTIQHFKGEV-SSDOTTSWSA-N
XLogP-0.10
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-formyl-4-oxocyclopent-2-en-1-yl] acetate
CID 22812774
6-hydroperoxy-3-oxocyclohexene-1-carboxylic acid
CID 142979886
(2,5-dioxo-7-bicyclo[4.2.0]octa-1(6),3-dienyl) acetate
CID 71342936
(2-methyl-4-oxocyclohex-2-en-1-yl) acetate
CID 10986648
propan-2-yl 7-(5-acetyloxy-3-oxocyclopenten-1-yl)heptanoate
CID 131844197
[(1S,3S,4R,6S,7R,9S)-3,4,6,7,9-pentaacetyloxy-2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[e]-as-indacen-1-yl] acetate
CID 98504176
(2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide
CID 158302570
(7,7-dibromo-4-oxo-3-bicyclo[4.1.0]heptanyl) acetate
CID 86081564
(3-benzyl-2-oxocyclopent-3-en-1-yl) acetate
CID 25185939
[(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate
CID 11961495
[(2S,3S)-2-acetyloxy-1-benzyl-5-oxopyrrolidin-3-yl] acetate
CID 10637302
[(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate
CID 130727881

Frequently Asked Questions

What is the IUPAC name of (5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid?
The IUPAC name of (5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid (CID 131142787) is (5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid.
What is the SMILES notation for (5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid?
The canonical SMILES for (5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid is CC(=O)O[C@@H]1CC(=O)C=C1C(=O)O.
What is the InChIKey of (5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid?
The InChIKey is VDKGHTIQHFKGEV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8O5/c1-4(9)13-7-3-5(10)2-6(7)8(11)12/h2,7H,3H2,1H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid?
(5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid is sourced from PubChem (CID 131142787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).