3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid

C10H13NO7 — CID 121295380

About 3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid

3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid (PubChem CID 121295380) has the molecular formula C10H13NO7 and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid.

Molecular Properties

• Compound Name: 3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid
• PubChem CID: 121295380
• Molecular Formula: C10H13NO7
• Molecular Weight: 259.21 g/mol
• Exact Mass: 259.07
• IUPAC Name: 3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid
• SMILES: O=C(O)CCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C10H13NO7/c12-7-1-2-8(13)11(7)18-10(16)4-6-17-5-3-9(14)15/h1-6H2,(H,14,15)
• InChIKey: IWEZEFFHQIZWAS-UHFFFAOYSA-N
• XLogP: -0.52
• TPSA: 110.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	259.21
LogP ≤ 5	-0.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid?

The IUPAC name of 3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid (CID 121295380) is 3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid.

What is the SMILES notation for 3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid?

The canonical SMILES for 3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid is O=C(O)CCOCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of 3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid?

The InChIKey is IWEZEFFHQIZWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO7/c12-7-1-2-8(13)11(7)18-10(16)4-6-17-5-3-9(14)15/h1-6H2,(H,14,15).

What are the key properties of 3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid?

3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid has a molecular weight of 259.21 g/mol, XLogP of -0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid is sourced from PubChem (CID 121295380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).