(2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate

C34H60N4O18 — CID 91110264

About (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate

(2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate (PubChem CID 91110264) has the molecular formula C34H60N4O18 and a molecular weight of 812.86 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate.

Molecular Properties

• Compound Name: (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate
• PubChem CID: 91110264
• Molecular Formula: C34H60N4O18
• Molecular Weight: 812.86 g/mol
• Exact Mass: 812.39
• IUPAC Name: (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate
• SMILES: COCCOCCOCC(=O)NCCOCCOCC(COCCOCCNC(=O)COCCOCCOC)OCC(=O)NCCC(=O)On1c(O)ccc1O
• InChI: InChI=1S/C34H60N4O18/c1-45-11-13-49-17-21-53-25-29(39)36-7-9-47-15-19-51-23-28(55-27-31(41)35-6-5-34(44)56-38-32(42)3-4-33(38)43)24-52-20-16-48-10-8-37-30(40)26-54-22-18-50-14-12-46-2/h3-4,28,42-43H,5-27H2,1-2H3,(H,35,41)(H,36,39)(H,37,40)
• InChIKey: FPYRPLRZFPMKHS-UHFFFAOYSA-N
• XLogP: -2.60
• TPSA: 260.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 39
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.86
LogP ≤ 5	-2.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate?

The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate (CID 91110264) is (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate.

What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate?

The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate is COCCOCCOCC(=O)NCCOCCOCC(COCCOCCNC(=O)COCCOCCOC)OCC(=O)NCCC(=O)On1c(O)ccc1O.

What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate?

The InChIKey is FPYRPLRZFPMKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60N4O18/c1-45-11-13-49-17-21-53-25-29(39)36-7-9-47-15-19-51-23-28(55-27-31(41)35-6-5-34(44)56-38-32(42)3-4-33(38)43)24-52-20-16-48-10-8-37-30(40)26-54-22-18-50-14-12-46-2/h3-4,28,42-43H,5-27H2,1-2H3,(H,35,41)(H,36,39)(H,37,40).

What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate?

(2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate has a molecular weight of 812.86 g/mol, XLogP of -2.60, 39 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate is sourced from PubChem (CID 91110264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).