3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-(2-formyloxyethoxy)ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

C27H53NO14 — CID 155128331

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

3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-(2-formyloxyethoxy)ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 155128331) has the molecular formula C27H53NO14 and a molecular weight of 615.71 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-(2-formyloxyethoxy)ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-(2-formyloxyethoxy)ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• PubChem CID: 155128331
• Molecular Formula: C27H53NO14
• Molecular Weight: 615.71 g/mol
• Exact Mass: 615.35
• IUPAC Name: 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-(2-formyloxyethoxy)ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• SMILES: O=COCCOCCOCCCNCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
• InChI: InChI=1S/C27H53NO14/c29-26-42-25-24-41-11-8-32-5-1-3-28-4-7-34-10-13-36-15-17-38-19-21-40-23-22-39-20-18-37-16-14-35-12-9-33-6-2-27(30)31/h26,28H,1-25H2,(H,30,31)
• InChIKey: RLBAZVHCSPQZEM-UHFFFAOYSA-N
• XLogP: -0.22
• TPSA: 167.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 38
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.71
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-(2-formyloxyethoxy)ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 155128331) is 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-(2-formyloxyethoxy)ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

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

The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-(2-formyloxyethoxy)ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is O=COCCOCCOCCCNCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O.

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

The InChIKey is RLBAZVHCSPQZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53NO14/c29-26-42-25-24-41-11-8-32-5-1-3-28-4-7-34-10-13-36-15-17-38-19-21-40-23-22-39-20-18-37-16-14-35-12-9-33-6-2-27(30)31/h26,28H,1-25H2,(H,30,31).

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

3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-(2-formyloxyethoxy)ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 615.71 g/mol, XLogP of -0.22, 38 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-(2-formyloxyethoxy)ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 155128331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).