2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium

C26H34N3O7+ — CID 123970093

About 2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium

2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium (PubChem CID 123970093) has the molecular formula C26H34N3O7+ and a molecular weight of 500.57 g/mol. Its IUPAC name is 2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium.

Molecular Properties

• Compound Name: 2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium
• PubChem CID: 123970093
• Molecular Formula: C26H34N3O7+
• Molecular Weight: 500.57 g/mol
• Exact Mass: 500.24
• IUPAC Name: 2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium
• SMILES: [NH3+]CCN(CC(=O)NCCOCCOCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C26H33N3O7/c27-10-12-29(17-24(30)28-11-14-35-16-15-34-13-9-25(31)32)26(33)36-18-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,23H,9-18,27H2,(H,28,30)(H,31,32)/p+1
• InChIKey: WLJZJDKJDCKEDO-UHFFFAOYSA-O
• XLogP: 1.10
• TPSA: 142.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.57
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium?

The IUPAC name of 2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium (CID 123970093) is 2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium.

What is the SMILES notation for 2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium?

The canonical SMILES for 2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium is [NH3+]CCN(CC(=O)NCCOCCOCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium?

The InChIKey is WLJZJDKJDCKEDO-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H33N3O7/c27-10-12-29(17-24(30)28-11-14-35-16-15-34-13-9-25(31)32)26(33)36-18-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,23H,9-18,27H2,(H,28,30)(H,31,32)/p+1.

What are the key properties of 2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium?

2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium has a molecular weight of 500.57 g/mol, XLogP of 1.10, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium is sourced from PubChem (CID 123970093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).