(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate

C12H12N2O9 — CID 51340992

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate
SMILESO=C(COCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H12N2O9/c15-7-1-2-8(16)13(7)22-11(19)5-21-6-12(20)23-14-9(17)3-4-10(14)18/h1-6H2
InChIKeyPTIALSJRKNBZIO-UHFFFAOYSA-N
MW328.23 g/mol
LogP-1.78
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate (PubChem CID 51340992) has the molecular formula C12H12N2O9 and a molecular weight of 328.23 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate
PubChem CID51340992
Molecular FormulaC12H12N2O9
Molecular Weight328.23 g/mol
Exact Mass328.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate
SMILESO=C(COCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H12N2O9/c15-7-1-2-8(16)13(7)22-11(19)5-21-6-12(20)23-14-9(17)3-4-10(14)18/h1-6H2
InChIKeyPTIALSJRKNBZIO-UHFFFAOYSA-N
XLogP-1.78
TPSA136.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 5-1.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate (CID 51340992) is (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate is O=C(COCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate?
The InChIKey is PTIALSJRKNBZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O9/c15-7-1-2-8(16)13(7)22-11(19)5-21-6-12(20)23-14-9(17)3-4-10(14)18/h1-6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate has a molecular weight of 328.23 g/mol, XLogP of -1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate is sourced from PubChem (CID 51340992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).