(2,5-dioxopyrrolidin-1-yl) 3-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate

C14H19FN4O6 — CID 59470497

About (2,5-dioxopyrrolidin-1-yl) 3-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate (PubChem CID 59470497) has the molecular formula C14H19FN4O6 and a molecular weight of 357.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate
• PubChem CID: 59470497
• Molecular Formula: C14H19FN4O6
• Molecular Weight: 357.33 g/mol
• Exact Mass: 357.13
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate
• SMILES: O=C(CCOCc1cn(CCOCC[18F])nn1)ON1C(=O)CCC1=O
• InChI: InChI=1S/C14H19FN4O6/c15-4-7-23-8-5-18-9-11(16-17-18)10-24-6-3-14(22)25-19-12(20)1-2-13(19)21/h9H,1-8,10H2/i15-1
• InChIKey: LPYNTJYVHDHEHI-HUYCHCPVSA-N
• XLogP: -0.22
• TPSA: 112.85 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.33
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate (CID 59470497) is (2,5-dioxopyrrolidin-1-yl) 3-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate is O=C(CCOCc1cn(CCOCC[18F])nn1)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate?

The InChIKey is LPYNTJYVHDHEHI-HUYCHCPVSA-N. The full InChI is InChI=1S/C14H19FN4O6/c15-4-7-23-8-5-18-9-11(16-17-18)10-24-6-3-14(22)25-19-12(20)1-2-13(19)21/h9H,1-8,10H2/i15-1.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate has a molecular weight of 357.33 g/mol, XLogP of -0.22, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate is sourced from PubChem (CID 59470497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).