[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate

C9H9NO8 — CID 91548805

IUPAC[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate
SMILESO=COCC(=O)OCC(=O)On1c(O)ccc1O
InChIInChI=1S/C9H9NO8/c11-5-16-3-8(14)17-4-9(15)18-10-6(12)1-2-7(10)13/h1-2,5,12-13H,3-4H2
InChIKeyRGIDEZDPVDGAET-UHFFFAOYSA-N
MW259.17 g/mol
LogP-1.43
Rot. Bonds6

About [2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate

[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate (PubChem CID 91548805) has the molecular formula C9H9NO8 and a molecular weight of 259.17 g/mol. Its IUPAC name is [2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate.

Molecular Properties

Compound Name[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate
PubChem CID91548805
Molecular FormulaC9H9NO8
Molecular Weight259.17 g/mol
Exact Mass259.03
IUPAC Name[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate
SMILESO=COCC(=O)OCC(=O)On1c(O)ccc1O
InChIInChI=1S/C9H9NO8/c11-5-16-3-8(14)17-4-9(15)18-10-6(12)1-2-7(10)13/h1-2,5,12-13H,3-4H2
InChIKeyRGIDEZDPVDGAET-UHFFFAOYSA-N
XLogP-1.43
TPSA124.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate
CID 54515596
(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) prop-2-enoate
CID 53643718
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700
(2,5-Dihydroxypyrrol-1-yl) butanoate
CID 54133325
(2,5-Dihydroxypyrrol-1-yl) 2-iodoacetate
CID 54322694
4-O-(2,5-dihydroxypyrrol-1-yl) 1-O-[2-[4-(2,5-dihydroxypyrrol-1-yl)oxy-4-oxobutanoyl]oxyethyl] butanedioate
CID 54327960
(2,5-Dihydroxypyrrol-1-yl) formate
CID 54439148
Acetyl 2-(2,5-dihydroxypyrrol-1-yl)oxyacetate
CID 57240830
4-O-(2,5-dihydroxypyrrol-1-yl) 1-O-methyl butanedioate
CID 57291270
(2,5-Dihydroxypyrrol-1-yl) 3-methoxypropanoate
CID 91025215

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate?
The IUPAC name of [2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate (CID 91548805) is [2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate.
What is the SMILES notation for [2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate?
The canonical SMILES for [2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate is O=COCC(=O)OCC(=O)On1c(O)ccc1O.
What is the InChIKey of [2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate?
The InChIKey is RGIDEZDPVDGAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO8/c11-5-16-3-8(14)17-4-9(15)18-10-6(12)1-2-7(10)13/h1-2,5,12-13H,3-4H2.
What are the key properties of [2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate?
[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate has a molecular weight of 259.17 g/mol, XLogP of -1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate is sourced from PubChem (CID 91548805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).