(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate

C33H56N2O15 — CID 157459945

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate (PubChem CID 157459945) has the molecular formula C33H56N2O15 and a molecular weight of 720.81 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate
• PubChem CID: 157459945
• Molecular Formula: C33H56N2O15
• Molecular Weight: 720.81 g/mol
• Exact Mass: 720.37
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate
• SMILES: CC(=O)CCOCCOCCOCCNC(=O)CCOCCCOCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C33H56N2O15/c1-28(36)7-15-45-21-25-49-27-23-47-19-11-34-30(38)9-17-43-14-3-13-42-16-8-29(37)4-2-12-44-20-24-48-26-22-46-18-10-33(41)50-35-31(39)5-6-32(35)40/h2-27H2,1H3,(H,34,38)
• InChIKey: MIMYNHMIBNPFOQ-UHFFFAOYSA-N
• XLogP: 0.73
• TPSA: 200.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 36
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.81
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

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-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate (CID 157459945) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate is CC(=O)CCOCCOCCOCCNC(=O)CCOCCCOCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate?

The InChIKey is MIMYNHMIBNPFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56N2O15/c1-28(36)7-15-45-21-25-49-27-23-47-19-11-34-30(38)9-17-43-14-3-13-42-16-8-29(37)4-2-12-44-20-24-48-26-22-46-18-10-33(41)50-35-31(39)5-6-32(35)40/h2-27H2,1H3,(H,34,38).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate has a molecular weight of 720.81 g/mol, XLogP of 0.73, 36 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 157459945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).