2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid

C19H40N2O9 — CID 167072138

About 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid

2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid (PubChem CID 167072138) has the molecular formula C19H40N2O9 and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid
• PubChem CID: 167072138
• Molecular Formula: C19H40N2O9
• Molecular Weight: 440.53 g/mol
• Exact Mass: 440.27
• IUPAC Name: 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid
• SMILES: CC(COCCOCCOCCN)(COCCOCCOCCN)COCC(=O)O
• InChI: InChI=1S/C19H40N2O9/c1-19(17-30-14-18(22)23,15-28-12-10-26-8-6-24-4-2-20)16-29-13-11-27-9-7-25-5-3-21/h2-17,20-21H2,1H3,(H,22,23)
• InChIKey: HCKAETFERHZLGA-UHFFFAOYSA-N
• XLogP: -0.89
• TPSA: 153.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.53
LogP ≤ 5	-0.89
H-Bond Donors ≤ 5	3
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-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid?

The IUPAC name of 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid (CID 167072138) is 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid.

What is the SMILES notation for 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid?

The canonical SMILES for 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid is CC(COCCOCCOCCN)(COCCOCCOCCN)COCC(=O)O.

What is the InChIKey of 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid?

The InChIKey is HCKAETFERHZLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O9/c1-19(17-30-14-18(22)23,15-28-12-10-26-8-6-24-4-2-20)16-29-13-11-27-9-7-25-5-3-21/h2-17,20-21H2,1H3,(H,22,23).

What are the key properties of 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid?

2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid has a molecular weight of 440.53 g/mol, XLogP of -0.89, 24 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid is sourced from PubChem (CID 167072138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).