(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-aminoethoxy)ethoxy]propanoate;ethane

C13H24N2O6 — CID 178089902

About (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-aminoethoxy)ethoxy]propanoate;ethane

(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-aminoethoxy)ethoxy]propanoate;ethane (PubChem CID 178089902) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-aminoethoxy)ethoxy]propanoate;ethane.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-aminoethoxy)ethoxy]propanoate;ethane
• PubChem CID: 178089902
• Molecular Formula: C13H24N2O6
• Molecular Weight: 304.34 g/mol
• Exact Mass: 304.16
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-aminoethoxy)ethoxy]propanoate;ethane
• SMILES: CC.NCCOCCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C11H18N2O6.C2H6/c12-4-6-18-8-7-17-5-3-11(16)19-13-9(14)1-2-10(13)15;1-2/h1-8,12H2;1-2H3
• InChIKey: OINYIKCRSMFUAX-UHFFFAOYSA-N
• XLogP: 0.00
• TPSA: 108.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.34
LogP ≤ 5	0.00
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-aminoethoxy)ethoxy]propanoate;ethane?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-aminoethoxy)ethoxy]propanoate;ethane (CID 178089902) is (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-aminoethoxy)ethoxy]propanoate;ethane.

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

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-aminoethoxy)ethoxy]propanoate;ethane is CC.NCCOCCOCCC(=O)ON1C(=O)CCC1=O.

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

The InChIKey is OINYIKCRSMFUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6.C2H6/c12-4-6-18-8-7-17-5-3-11(16)19-13-9(14)1-2-10(13)15;1-2/h1-8,12H2;1-2H3.

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

(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-aminoethoxy)ethoxy]propanoate;ethane has a molecular weight of 304.34 g/mol, XLogP of 0.00, 9 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-aminoethoxy)ethoxy]propanoate;ethane is sourced from PubChem (CID 178089902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).