4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid

C8H11NO7S — CID 90296712

IUPAC4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid
SMILESO=C(CCCS(=O)(=O)O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H11NO7S/c10-6-3-4-7(11)9(6)16-8(12)2-1-5-17(13,14)15/h1-5H2,(H,13,14,15)
InChIKeyBEVVWQKWVIFJDA-UHFFFAOYSA-N
MW265.24 g/mol
LogP-0.74
Rot. Bonds5

About 4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid

4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid (PubChem CID 90296712) has the molecular formula C8H11NO7S and a molecular weight of 265.24 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid
PubChem CID90296712
Molecular FormulaC8H11NO7S
Molecular Weight265.24 g/mol
Exact Mass265.03
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid
SMILESO=C(CCCS(=O)(=O)O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H11NO7S/c10-6-3-4-7(11)9(6)16-8(12)2-1-5-17(13,14)15/h1-5H2,(H,13,14,15)
InChIKeyBEVVWQKWVIFJDA-UHFFFAOYSA-N
XLogP-0.74
TPSA118.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecane-1-sulfonic acid
CID 71468135
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid (CID 90296712) is 4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid is O=C(CCCS(=O)(=O)O)ON1C(=O)CCC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid?
The InChIKey is BEVVWQKWVIFJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO7S/c10-6-3-4-7(11)9(6)16-8(12)2-1-5-17(13,14)15/h1-5H2,(H,13,14,15).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid?
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid has a molecular weight of 265.24 g/mol, XLogP of -0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid is sourced from PubChem (CID 90296712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).