2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

C24H49NO10 — CID 166167995

About 2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 166167995) has the molecular formula C24H49NO10 and a molecular weight of 511.65 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

• Compound Name: 2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• PubChem CID: 166167995
• Molecular Formula: C24H49NO10
• Molecular Weight: 511.65 g/mol
• Exact Mass: 511.34
• IUPAC Name: 2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• SMILES: CCCNCCOCCOCCOCCOCCOCCOCCOCCOCC(C)(C)C(=O)O
• InChI: InChI=1S/C24H49NO10/c1-4-5-25-6-7-28-8-9-29-10-11-30-12-13-31-14-15-32-16-17-33-18-19-34-20-21-35-22-24(2,3)23(26)27/h25H,4-22H2,1-3H3,(H,26,27)
• InChIKey: LPHHOTWVPZEYKN-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 123.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 29
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.65
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The IUPAC name of 2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 166167995) is 2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

What is the SMILES notation for 2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The canonical SMILES for 2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is CCCNCCOCCOCCOCCOCCOCCOCCOCCOCC(C)(C)C(=O)O.

What is the InChIKey of 2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The InChIKey is LPHHOTWVPZEYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO10/c1-4-5-25-6-7-28-8-9-29-10-11-30-12-13-31-14-15-32-16-17-33-18-19-34-20-21-35-22-24(2,3)23(26)27/h25H,4-22H2,1-3H3,(H,26,27).

What are the key properties of 2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 511.65 g/mol, XLogP of 1.23, 29 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 166167995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).