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

C18H23N3O9 — CID 51340948

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate
SMILESO=C(CCN1C(=O)C=CC1=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H23N3O9/c22-13(5-8-20-14(23)1-2-15(20)24)19-7-10-29-12-11-28-9-6-18(27)30-21-16(25)3-4-17(21)26/h1-2H,3-12H2,(H,19,22)
InChIKeyTZPDZOJURBVWHS-UHFFFAOYSA-N
MW425.39 g/mol
LogP-1.55
Rot. Bonds13

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

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate (PubChem CID 51340948) has the molecular formula C18H23N3O9 and a molecular weight of 425.39 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate
PubChem CID51340948
Molecular FormulaC18H23N3O9
Molecular Weight425.39 g/mol
Exact Mass425.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate
SMILESO=C(CCN1C(=O)C=CC1=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H23N3O9/c22-13(5-8-20-14(23)1-2-15(20)24)19-7-10-29-12-11-28-9-6-18(27)30-21-16(25)3-4-17(21)26/h1-2H,3-12H2,(H,19,22)
InChIKeyTZPDZOJURBVWHS-UHFFFAOYSA-N
XLogP-1.55
TPSA148.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate (CID 51340948) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate is O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate?
The InChIKey is TZPDZOJURBVWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O9/c22-13(5-8-20-14(23)1-2-15(20)24)19-7-10-29-12-11-28-9-6-18(27)30-21-16(25)3-4-17(21)26/h1-2H,3-12H2,(H,19,22).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate has a molecular weight of 425.39 g/mol, XLogP of -1.55, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 51340948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).