(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate

C12H20N2O6 — CID 90143112

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate (PubChem CID 90143112) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate
• PubChem CID: 90143112
• Molecular Formula: C12H20N2O6
• Molecular Weight: 288.30 g/mol
• Exact Mass: 288.13
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate
• SMILES: CNCCOCCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C12H20N2O6/c1-13-5-7-19-9-8-18-6-4-12(17)20-14-10(15)2-3-11(14)16/h13H,2-9H2,1H3
• InChIKey: BRLPZOVQTQEFBL-UHFFFAOYSA-N
• XLogP: -0.76
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.30
LogP ≤ 5	-0.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-(methylamino)ethoxy]ethoxy]propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate (CID 90143112) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate is CNCCOCCOCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate?

The InChIKey is BRLPZOVQTQEFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-13-5-7-19-9-8-18-6-4-12(17)20-14-10(15)2-3-11(14)16/h13H,2-9H2,1H3.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate has a molecular weight of 288.30 g/mol, XLogP of -0.76, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate is sourced from PubChem (CID 90143112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).