(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate

C52H80N6O27 — CID 118440419

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 118440419) has the molecular formula C52H80N6O27 and a molecular weight of 1221.23 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate
• PubChem CID: 118440419
• Molecular Formula: C52H80N6O27
• Molecular Weight: 1221.23 g/mol
• Exact Mass: 1220.51
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate
• SMILES: O=C(CCOC=C(COCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C52H80N6O27/c59-41(53-13-22-74-28-34-77-31-25-71-19-10-50(68)83-56-44(62)1-2-45(56)63)7-16-80-37-40(38-81-17-8-42(60)54-14-23-75-29-35-78-32-26-72-20-11-51(69)84-57-46(64)3-4-47(57)65)39-82-18-9-43(61)55-15-24-76-30-36-79-33-27-73-21-12-52(70)85-58-48(66)5-6-49(58)67/h37H,1-36,38-39H2,(H,53,59)(H,54,60)(H,55,61)
• InChIKey: XQBFJIORQFICJF-UHFFFAOYSA-N
• XLogP: -2.42
• TPSA: 389.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 53
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1221.23
LogP ≤ 5	-2.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate (CID 118440419) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate is O=C(CCOC=C(COCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate?

The InChIKey is XQBFJIORQFICJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H80N6O27/c59-41(53-13-22-74-28-34-77-31-25-71-19-10-50(68)83-56-44(62)1-2-45(56)63)7-16-80-37-40(38-81-17-8-42(60)54-14-23-75-29-35-78-32-26-72-20-11-51(69)84-57-46(64)3-4-47(57)65)39-82-18-9-43(61)55-15-24-76-30-36-79-33-27-73-21-12-52(70)85-58-48(66)5-6-49(58)67/h37H,1-36,38-39H2,(H,53,59)(H,54,60)(H,55,61).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 1221.23 g/mol, XLogP of -2.42, 53 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 118440419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).