2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid

C23H44N4O9 — CID 145263476

About 2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid

2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid (PubChem CID 145263476) has the molecular formula C23H44N4O9 and a molecular weight of 520.62 g/mol. Its IUPAC name is 2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid.

Molecular Properties

• Compound Name: 2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
• PubChem CID: 145263476
• Molecular Formula: C23H44N4O9
• Molecular Weight: 520.62 g/mol
• Exact Mass: 520.31
• IUPAC Name: 2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
• SMILES: CCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC)C(=O)O
• InChI: InChI=1S/C23H44N4O9/c1-3-4-5-8-25-21(29)17-35-15-14-34-12-10-27-22(30)18-36-16-13-33-11-9-26-20(28)7-6-19(24-2)23(31)32/h19,24H,3-18H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)(H,31,32)
• InChIKey: GCJDXHPQZKUSAQ-UHFFFAOYSA-N
• XLogP: -0.96
• TPSA: 173.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 25
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.62
LogP ≤ 5	-0.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid?

The IUPAC name of 2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid (CID 145263476) is 2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid.

What is the SMILES notation for 2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid?

The canonical SMILES for 2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid is CCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC)C(=O)O.

What is the InChIKey of 2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid?

The InChIKey is GCJDXHPQZKUSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O9/c1-3-4-5-8-25-21(29)17-35-15-14-34-12-10-27-22(30)18-36-16-13-33-11-9-26-20(28)7-6-19(24-2)23(31)32/h19,24H,3-18H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)(H,31,32).

What are the key properties of 2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid?

2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid has a molecular weight of 520.62 g/mol, XLogP of -0.96, 25 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid is sourced from PubChem (CID 145263476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).