5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid

C25H48N2O9 — CID 122688280

About 5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid

5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid (PubChem CID 122688280) has the molecular formula C25H48N2O9 and a molecular weight of 520.66 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid.

Molecular Properties

• Compound Name: 5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid
• PubChem CID: 122688280
• Molecular Formula: C25H48N2O9
• Molecular Weight: 520.66 g/mol
• Exact Mass: 520.34
• IUPAC Name: 5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid
• SMILES: C#CCOCCNCCCOCCOCCOCCOCCOCCOCCNCCCCC(=O)O
• InChI: InChI=1S/C25H48N2O9/c1-2-11-30-13-9-27-8-5-12-31-15-17-33-19-21-35-23-24-36-22-20-34-18-16-32-14-10-26-7-4-3-6-25(28)29/h1,26-27H,3-24H2,(H,28,29)
• InChIKey: HBENQGQOCVGQCN-UHFFFAOYSA-N
• XLogP: 0.56
• TPSA: 125.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 31
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.66
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid?

The IUPAC name of 5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid (CID 122688280) is 5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid.

What is the SMILES notation for 5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid?

The canonical SMILES for 5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid is C#CCOCCNCCCOCCOCCOCCOCCOCCOCCNCCCCC(=O)O.

What is the InChIKey of 5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid?

The InChIKey is HBENQGQOCVGQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N2O9/c1-2-11-30-13-9-27-8-5-12-31-15-17-33-19-21-35-23-24-36-22-20-34-18-16-32-14-10-26-7-4-3-6-25(28)29/h1,26-27H,3-24H2,(H,28,29).

What are the key properties of 5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid?

5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid has a molecular weight of 520.66 g/mol, XLogP of 0.56, 31 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid is sourced from PubChem (CID 122688280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).