3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid

C26H53NO13 — CID 122700607

IUPAC3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNCCC(=O)O
InChIInChI=1S/C26H53NO13/c1-30-6-7-32-10-11-34-14-15-36-18-19-38-22-23-40-25-24-39-21-20-37-17-16-35-13-12-33-9-8-31-5-4-27-3-2-26(28)29/h27H,2-25H2,1H3,(H,28,29)
InChIKeyLPIOPIURYWPWMP-UHFFFAOYSA-N
MW587.70 g/mol
LogP-0.14
Rot. Bonds36

About 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid (PubChem CID 122700607) has the molecular formula C26H53NO13 and a molecular weight of 587.70 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid
PubChem CID122700607
Molecular FormulaC26H53NO13
Molecular Weight587.70 g/mol
Exact Mass587.35
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNCCC(=O)O
InChIInChI=1S/C26H53NO13/c1-30-6-7-32-10-11-34-14-15-36-18-19-38-22-23-40-25-24-39-21-20-37-17-16-35-13-12-33-9-8-31-5-4-27-3-2-26(28)29/h27H,2-25H2,1H3,(H,28,29)
InChIKeyLPIOPIURYWPWMP-UHFFFAOYSA-N
XLogP-0.14
TPSA150.86 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds36
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.70
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid?
The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid (CID 122700607) is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid?
The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNCCC(=O)O.
What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid?
The InChIKey is LPIOPIURYWPWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO13/c1-30-6-7-32-10-11-34-14-15-36-18-19-38-22-23-40-25-24-39-21-20-37-17-16-35-13-12-33-9-8-31-5-4-27-3-2-26(28)29/h27H,2-25H2,1H3,(H,28,29).
What are the key properties of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid?
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid has a molecular weight of 587.70 g/mol, XLogP of -0.14, 36 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid is sourced from PubChem (CID 122700607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).