About 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 66802547) has the molecular formula C22H38N2O10
and a molecular weight of 490.55 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.
Molecular Properties
| Compound Name | 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
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| PubChem CID | 66802547 |
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| Molecular Formula | C22H38N2O10 |
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| Molecular Weight | 490.55 g/mol |
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| Exact Mass | 490.25 |
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| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
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| SMILES | O=C(O)CCOCCOCCOCCOCCOCCOCCNCCCN1C(=O)C=CC1=O |
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| InChI | InChI=1S/C22H38N2O10/c25-20-2-3-21(26)24(20)7-1-5-23-6-9-30-11-13-32-15-17-34-19-18-33-16-14-31-12-10-29-8-4-22(27)28/h2-3,23H,1,4-19H2,(H,27,28) |
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| InChIKey | KDNUBXJPAGVGGV-UHFFFAOYSA-N |
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| XLogP | -0.53 |
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| TPSA | 142.09 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 25 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 490.55 |
| LogP ≤ 5 | -0.53 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 66802547) is 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is O=C(O)CCOCCOCCOCCOCCOCCOCCNCCCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The InChIKey is KDNUBXJPAGVGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O10/c25-20-2-3-21(26)24(20)7-1-5-23-6-9-30-11-13-32-15-17-34-19-18-33-16-14-31-12-10-29-8-4-22(27)28/h2-3,23H,1,4-19H2,(H,27,28).
What are the key properties of 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 490.55 g/mol, XLogP of -0.53, 25 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 66802547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).