(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate

C21H29N3O9 — CID 51340883

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C21H29N3O9/c25-16(4-2-1-3-11-23-17(26)5-6-18(23)27)22-10-13-32-15-14-31-12-9-21(30)33-24-19(28)7-8-20(24)29/h5-6H,1-4,7-15H2,(H,22,25)
InChIKeyRKGUGSULMVQEIX-UHFFFAOYSA-N
MW467.48 g/mol
LogP-0.38
Rot. Bonds16

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate (PubChem CID 51340883) has the molecular formula C21H29N3O9 and a molecular weight of 467.48 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate
PubChem CID51340883
Molecular FormulaC21H29N3O9
Molecular Weight467.48 g/mol
Exact Mass467.19
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C21H29N3O9/c25-16(4-2-1-3-11-23-17(26)5-6-18(23)27)22-10-13-32-15-14-31-12-9-21(30)33-24-19(28)7-8-20(24)29/h5-6H,1-4,7-15H2,(H,22,25)
InChIKeyRKGUGSULMVQEIX-UHFFFAOYSA-N
XLogP-0.38
TPSA148.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 5-0.38
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-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate (CID 51340883) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate is O=C(CCCCCN1C(=O)C=CC1=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate?
The InChIKey is RKGUGSULMVQEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O9/c25-16(4-2-1-3-11-23-17(26)5-6-18(23)27)22-10-13-32-15-14-31-12-9-21(30)33-24-19(28)7-8-20(24)29/h5-6H,1-4,7-15H2,(H,22,25).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate has a molecular weight of 467.48 g/mol, XLogP of -0.38, 16 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-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 51340883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).