4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate

C20H24N2O10 — CID 118359817

IUPAC4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate
SMILESC=C1CCC(=O)N1CC(=O)CCC(=O)OCCOC(=O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H24N2O10/c1-13-2-4-15(24)21(13)12-14(23)3-7-18(27)30-10-11-31-19(28)8-9-20(29)32-22-16(25)5-6-17(22)26/h1-12H2
InChIKeyYQGLFSNMSGTSKA-UHFFFAOYSA-N
MW452.42 g/mol
LogP-0.05
Rot. Bonds12

About 4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate

4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate (PubChem CID 118359817) has the molecular formula C20H24N2O10 and a molecular weight of 452.42 g/mol. Its IUPAC name is 4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate.

Molecular Properties

Compound Name4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate
PubChem CID118359817
Molecular FormulaC20H24N2O10
Molecular Weight452.42 g/mol
Exact Mass452.14
IUPAC Name4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate
SMILESC=C1CCC(=O)N1CC(=O)CCC(=O)OCCOC(=O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H24N2O10/c1-13-2-4-15(24)21(13)12-14(23)3-7-18(27)30-10-11-31-19(28)8-9-20(29)32-22-16(25)5-6-17(22)26/h1-12H2
InChIKeyYQGLFSNMSGTSKA-UHFFFAOYSA-N
XLogP-0.05
TPSA153.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate
CID 162785232
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[2-[2-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]oxyethoxy]ethoxy]ethyl] pentanedioate
CID 162161895
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[3-[3-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxypropoxy]propyl] butanedioate
CID 160965855
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-hydroxybutanoyl]oxyethyl] butanedioate
CID 59821431
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 89197439
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(3-ethoxypropoxy)ethyl] butanedioate
CID 58559852
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111
(2,5-dioxopyrrolidin-1-yl) 9-[3-[9-(2,5-dioxopyrrolidin-1-yl)oxy-3,6,9-trioxononoxy]propoxy]-4,7-dioxononanoate
CID 158122544
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[3-[3-[3-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxypropoxy]-2,2-bis[3-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxypropoxymethyl]propoxy]propyl] butanedioate
CID 121354388
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590

Frequently Asked Questions

What is the IUPAC name of 4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate?
The IUPAC name of 4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate (CID 118359817) is 4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate.
What is the SMILES notation for 4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate?
The canonical SMILES for 4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate is C=C1CCC(=O)N1CC(=O)CCC(=O)OCCOC(=O)CCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate?
The InChIKey is YQGLFSNMSGTSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O10/c1-13-2-4-15(24)21(13)12-14(23)3-7-18(27)30-10-11-31-19(28)8-9-20(29)32-22-16(25)5-6-17(22)26/h1-12H2.
What are the key properties of 4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate?
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate has a molecular weight of 452.42 g/mol, XLogP of -0.05, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate is sourced from PubChem (CID 118359817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).