(2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate

C27H39N7O14 — CID 59169176

About (2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate (PubChem CID 59169176) has the molecular formula C27H39N7O14 and a molecular weight of 685.64 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate
• PubChem CID: 59169176
• Molecular Formula: C27H39N7O14
• Molecular Weight: 685.64 g/mol
• Exact Mass: 685.26
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate
• SMILES: [N-]=[N+]=NCC(=O)NCCOCCOCCOCCOCCC(=O)N(CCC(=O)ON1C(=O)CCC1=O)CCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C27H39N7O14/c28-31-30-19-20(35)29-8-12-44-14-16-46-18-17-45-15-13-43-11-7-21(36)32(9-5-26(41)47-33-22(37)1-2-23(33)38)10-6-27(42)48-34-24(39)3-4-25(34)40/h1-19H2,(H,29,35)
• InChIKey: ROMDYXUQVDWYPB-UHFFFAOYSA-N
• XLogP: -1.31
• TPSA: 262.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.64
LogP ≤ 5	-1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate (CID 59169176) is (2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate is [N-]=[N+]=NCC(=O)NCCOCCOCCOCCOCCC(=O)N(CCC(=O)ON1C(=O)CCC1=O)CCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate?

The InChIKey is ROMDYXUQVDWYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N7O14/c28-31-30-19-20(35)29-8-12-44-14-16-46-18-17-45-15-13-43-11-7-21(36)32(9-5-26(41)47-33-22(37)1-2-23(33)38)10-6-27(42)48-34-24(39)3-4-25(34)40/h1-19H2,(H,29,35).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate has a molecular weight of 685.64 g/mol, XLogP of -1.31, 25 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate is sourced from PubChem (CID 59169176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).