(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate

C68H111N5O34 — CID 157159220

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 157159220) has the molecular formula C68H111N5O34 and a molecular weight of 1542.64 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate
• PubChem CID: 157159220
• Molecular Formula: C68H111N5O34
• Molecular Weight: 1542.64 g/mol
• Exact Mass: 1541.71
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate
• SMILES: COCCOCCOCCC(=O)NC(COCCC(=O)CCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)CCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C68H111N5O34/c1-87-30-31-95-41-34-90-24-15-58(77)70-68(52-102-22-12-55(74)4-2-20-88-32-39-96-46-48-98-42-35-91-26-16-65(84)105-71-59(78)6-7-60(71)79,53-103-23-13-56(75)5-3-21-89-33-40-97-47-49-99-43-36-92-27-17-66(85)106-72-61(80)8-9-62(72)81)54-104-25-14-57(76)69-19-29-94-38-45-101-51-50-100-44-37-93-28-18-67(86)107-73-63(82)10-11-64(73)83/h2-54H2,1H3,(H,69,76)(H,70,77)
• InChIKey: XQNWPXBSXBDVDS-UHFFFAOYSA-N
• XLogP: -0.86
• TPSA: 449.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 75
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1542.64
LogP ≤ 5	-0.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'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-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 157159220) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate is COCCOCCOCCC(=O)NC(COCCC(=O)CCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)CCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate?

The InChIKey is XQNWPXBSXBDVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H111N5O34/c1-87-30-31-95-41-34-90-24-15-58(77)70-68(52-102-22-12-55(74)4-2-20-88-32-39-96-46-48-98-42-35-91-26-16-65(84)105-71-59(78)6-7-60(71)79,53-103-23-13-56(75)5-3-21-89-33-40-97-47-49-99-43-36-92-27-17-66(85)106-72-61(80)8-9-62(72)81)54-104-25-14-57(76)69-19-29-94-38-45-101-51-50-100-44-37-93-28-18-67(86)107-73-63(82)10-11-64(73)83/h2-54H2,1H3,(H,69,76)(H,70,77).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 1542.64 g/mol, XLogP of -0.86, 75 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 157159220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).