(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate

C104H171N9O40 — CID 157265236

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate (PubChem CID 157265236) has the molecular formula C104H171N9O40 and a molecular weight of 2187.54 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate
• PubChem CID: 157265236
• Molecular Formula: C104H171N9O40
• Molecular Weight: 2187.54 g/mol
• Exact Mass: 2186.16
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate
• SMILES: O=C(CCCCCCCNC(=O)CCOCC(COCCC(=O)CCCCCCCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C104H171N9O40/c114-84(27-22-52-134-64-72-142-74-66-136-58-43-100(130)150-110-92(122)31-32-93(110)123)24-14-7-3-11-19-47-105-89(119)40-55-147-81-104(80-146-54-39-86(116)26-16-6-1-2-9-17-29-87(117)108-50-62-140-70-78-144-76-68-138-60-45-102(132)152-112-96(126)35-36-97(112)127,82-148-56-41-90(120)106-48-20-12-4-8-15-25-85(115)28-23-53-135-65-73-143-75-67-137-59-44-101(131)151-111-94(124)33-34-95(111)125)83-149-57-42-91(121)107-49-21-13-5-10-18-30-88(118)109-51-63-141-71-79-145-77-69-139-61-46-103(133)153-113-98(128)37-38-99(113)129/h1-83H2,(H,105,119)(H,106,120)(H,107,121)(H,108,117)(H,109,118)
• InChIKey: CYWYXTYPSFOGMP-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 599.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 107
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2187.54
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

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-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate (CID 157265236) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate is O=C(CCCCCCCNC(=O)CCOCC(COCCC(=O)CCCCCCCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate?

The InChIKey is CYWYXTYPSFOGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H171N9O40/c114-84(27-22-52-134-64-72-142-74-66-136-58-43-100(130)150-110-92(122)31-32-93(110)123)24-14-7-3-11-19-47-105-89(119)40-55-147-81-104(80-146-54-39-86(116)26-16-6-1-2-9-17-29-87(117)108-50-62-140-70-78-144-76-68-138-60-45-102(132)152-112-96(126)35-36-97(112)127,82-148-56-41-90(120)106-48-20-12-4-8-15-25-85(115)28-23-53-135-65-73-143-75-67-137-59-44-101(131)151-111-94(124)33-34-95(111)125)83-149-57-42-91(121)107-49-21-13-5-10-18-30-88(118)109-51-63-141-71-79-145-77-69-139-61-46-103(133)153-113-98(128)37-38-99(113)129/h1-83H2,(H,105,119)(H,106,120)(H,107,121)(H,108,117)(H,109,118).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate has a molecular weight of 2187.54 g/mol, XLogP of 5.78, 107 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 157265236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).