3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione

C22H35N3O11 — CID 177144723

About 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione

3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione (PubChem CID 177144723) has the molecular formula C22H35N3O11 and a molecular weight of 517.53 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione
• PubChem CID: 177144723
• Molecular Formula: C22H35N3O11
• Molecular Weight: 517.53 g/mol
• Exact Mass: 517.23
• IUPAC Name: 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione
• SMILES: O=C(O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.O=C1CCC(=O)N1.[H][H]
• InChI: InChI=1S/C18H28N2O9.C4H5NO2.H2/c21-15(3-6-20-16(22)1-2-17(20)23)19-5-8-27-10-12-29-14-13-28-11-9-26-7-4-18(24)25;6-3-1-2-4(7)5-3;/h1-2H,3-14H2,(H,19,21)(H,24,25);1-2H2,(H,5,6,7);1H
• InChIKey: WHIYEWIICFFKDH-UHFFFAOYSA-N
• XLogP: -1.37
• TPSA: 186.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.53
LogP ≤ 5	-1.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione?

The IUPAC name of 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione (CID 177144723) is 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione.

What is the SMILES notation for 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione?

The canonical SMILES for 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione is O=C(O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.O=C1CCC(=O)N1.[H][H].

What is the InChIKey of 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione?

The InChIKey is WHIYEWIICFFKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O9.C4H5NO2.H2/c21-15(3-6-20-16(22)1-2-17(20)23)19-5-8-27-10-12-29-14-13-28-11-9-26-7-4-18(24)25;6-3-1-2-4(7)5-3;/h1-2H,3-14H2,(H,19,21)(H,24,25);1-2H2,(H,5,6,7);1H.

What are the key properties of 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione?

3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione has a molecular weight of 517.53 g/mol, XLogP of -1.37, 18 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione is sourced from PubChem (CID 177144723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).