(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate

C13H14N2O7 — CID 59992617

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate
SMILESO=C(CCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H14N2O7/c16-9-1-2-10(17)14(9)6-8-21-7-5-13(20)22-15-11(18)3-4-12(15)19/h1-2H,3-8H2
InChIKeyAMRJPIJPLBUEHO-UHFFFAOYSA-N
MW310.26 g/mol
LogP-1.07
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate (PubChem CID 59992617) has the molecular formula C13H14N2O7 and a molecular weight of 310.26 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate
PubChem CID59992617
Molecular FormulaC13H14N2O7
Molecular Weight310.26 g/mol
Exact Mass310.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate
SMILESO=C(CCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H14N2O7/c16-9-1-2-10(17)14(9)6-8-21-7-5-13(20)22-15-11(18)3-4-12(15)19/h1-2H,3-8H2
InChIKeyAMRJPIJPLBUEHO-UHFFFAOYSA-N
XLogP-1.07
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate (CID 59992617) is (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate is O=C(CCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate?
The InChIKey is AMRJPIJPLBUEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O7/c16-9-1-2-10(17)14(9)6-8-21-7-5-13(20)22-15-11(18)3-4-12(15)19/h1-2H,3-8H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate has a molecular weight of 310.26 g/mol, XLogP of -1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate is sourced from PubChem (CID 59992617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).