(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;1-hydroxypyrrolidine-2,5-dione;methane;3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

C42H80N2O23 — CID 162181014

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;1-hydroxypyrrolidine-2,5-dione;methane;3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;1-hydroxypyrrolidine-2,5-dione;methane;3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 162181014) has the molecular formula C42H80N2O23 and a molecular weight of 981.09 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;1-hydroxypyrrolidine-2,5-dione;methane;3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;1-hydroxypyrrolidine-2,5-dione;methane;3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• PubChem CID: 162181014
• Molecular Formula: C42H80N2O23
• Molecular Weight: 981.09 g/mol
• Exact Mass: 980.52
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;1-hydroxypyrrolidine-2,5-dione;methane;3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• SMILES: C.C.COCCOCCOCCOCCOCCOCCOCCC(=O)O.COCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.O=C1CCC(=O)N1O
• InChI: InChI=1S/C20H35NO11.C16H32O9.C4H5NO3.2CH4/c1-25-6-7-27-10-11-29-14-15-31-17-16-30-13-12-28-9-8-26-5-4-20(24)32-21-18(22)2-3-19(21)23;1-19-4-5-21-8-9-23-12-13-25-15-14-24-11-10-22-7-6-20-3-2-16(17)18;6-3-1-2-4(7)5(3)8;;/h2-17H2,1H3;2-15H2,1H3,(H,17,18);8H,1-2H2;2*1H4
• InChIKey: ZPACCIJKNGLMLV-UHFFFAOYSA-N
• XLogP: 0.73
• TPSA: 287.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 43
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	981.09
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;1-hydroxypyrrolidine-2,5-dione;methane;3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;1-hydroxypyrrolidine-2,5-dione;methane;3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 162181014) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;1-hydroxypyrrolidine-2,5-dione;methane;3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;1-hydroxypyrrolidine-2,5-dione;methane;3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;1-hydroxypyrrolidine-2,5-dione;methane;3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is C.C.COCCOCCOCCOCCOCCOCCOCCC(=O)O.COCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.O=C1CCC(=O)N1O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;1-hydroxypyrrolidine-2,5-dione;methane;3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The InChIKey is ZPACCIJKNGLMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO11.C16H32O9.C4H5NO3.2CH4/c1-25-6-7-27-10-11-29-14-15-31-17-16-30-13-12-28-9-8-26-5-4-20(24)32-21-18(22)2-3-19(21)23;1-19-4-5-21-8-9-23-12-13-25-15-14-24-11-10-22-7-6-20-3-2-16(17)18;6-3-1-2-4(7)5(3)8;;/h2-17H2,1H3;2-15H2,1H3,(H,17,18);8H,1-2H2;2*1H4.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;1-hydroxypyrrolidine-2,5-dione;methane;3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;1-hydroxypyrrolidine-2,5-dione;methane;3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 981.09 g/mol, XLogP of 0.73, 43 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;1-hydroxypyrrolidine-2,5-dione;methane;3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 162181014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).