(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid

C103H184N6O31 — CID 159358371

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid (PubChem CID 159358371) has the molecular formula C103H184N6O31 and a molecular weight of 2002.62 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid
• PubChem CID: 159358371
• Molecular Formula: C103H184N6O31
• Molecular Weight: 2002.62 g/mol
• Exact Mass: 2001.30
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid
• SMILES: CC(=O)CCCCCCCCC(=O)CCCCCCCCC(=O)CCOCCCOCCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)O.CC(=O)CCCCCCCNC(=O)CCOCCCOCCC(=O)NCCCCCCCC(=O)O.CC(=O)CCOCCOCCOCCNC(=O)CCOCCCOCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C44H80N2O9.C33H56N2O15.C26H48N2O7/c1-39(47)25-16-8-2-3-9-17-26-40(48)27-18-10-4-5-11-19-28-41(49)31-37-54-35-24-36-55-38-32-43(51)46-34-23-14-6-12-20-29-42(50)45-33-22-15-7-13-21-30-44(52)53;1-28(36)7-15-45-21-25-49-27-23-47-19-11-34-30(38)9-17-43-14-3-13-42-16-8-29(37)4-2-12-44-20-24-48-26-22-46-18-10-33(41)50-35-31(39)5-6-32(35)40;1-23(29)13-8-4-2-6-10-17-27-24(30)15-21-34-19-12-20-35-22-16-25(31)28-18-11-7-3-5-9-14-26(32)33/h2-38H2,1H3,(H,45,50)(H,46,51)(H,52,53);2-27H2,1H3,(H,34,38);2-22H2,1H3,(H,27,30)(H,28,31)(H,32,33)
• InChIKey: LIFFVXRHODAXLZ-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 496.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 106
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2002.62
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid (CID 159358371) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid is CC(=O)CCCCCCCCC(=O)CCCCCCCCC(=O)CCOCCCOCCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)O.CC(=O)CCCCCCCNC(=O)CCOCCCOCCC(=O)NCCCCCCCC(=O)O.CC(=O)CCOCCOCCOCCNC(=O)CCOCCCOCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid?

The InChIKey is LIFFVXRHODAXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H80N2O9.C33H56N2O15.C26H48N2O7/c1-39(47)25-16-8-2-3-9-17-26-40(48)27-18-10-4-5-11-19-28-41(49)31-37-54-35-24-36-55-38-32-43(51)46-34-23-14-6-12-20-29-42(50)45-33-22-15-7-13-21-30-44(52)53;1-28(36)7-15-45-21-25-49-27-23-47-19-11-34-30(38)9-17-43-14-3-13-42-16-8-29(37)4-2-12-44-20-24-48-26-22-46-18-10-33(41)50-35-31(39)5-6-32(35)40;1-23(29)13-8-4-2-6-10-17-27-24(30)15-21-34-19-12-20-35-22-16-25(31)28-18-11-7-3-5-9-14-26(32)33/h2-38H2,1H3,(H,45,50)(H,46,51)(H,52,53);2-27H2,1H3,(H,34,38);2-22H2,1H3,(H,27,30)(H,28,31)(H,32,33).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid?

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid has a molecular weight of 2002.62 g/mol, XLogP of 13.67, 106 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid is sourced from PubChem (CID 159358371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).