(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate

C31H51N5O17 — CID 23545229

About (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate (PubChem CID 23545229) has the molecular formula C31H51N5O17 and a molecular weight of 765.77 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate
• PubChem CID: 23545229
• Molecular Formula: C31H51N5O17
• Molecular Weight: 765.77 g/mol
• Exact Mass: 765.33
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate
• SMILES: CCCOC(=O)NCCOCCOCCNC(=O)OCCN(CCOC(=O)COCC(=O)OCCNC(=O)OCCC)CC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C31H51N5O17/c1-3-12-50-29(42)32-7-14-45-19-20-46-15-8-33-31(44)52-18-11-35(21-26(39)53-36-24(37)5-6-25(36)38)10-17-49-28(41)23-47-22-27(40)48-16-9-34-30(43)51-13-4-2/h3-23H2,1-2H3,(H,32,42)(H,33,44)(H,34,43)
• InChIKey: ZHEMLIUYDXHKLD-UHFFFAOYSA-N
• XLogP: -0.97
• TPSA: 262.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 29
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.77
LogP ≤ 5	-0.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate (CID 23545229) is (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate is CCCOC(=O)NCCOCCOCCNC(=O)OCCN(CCOC(=O)COCC(=O)OCCNC(=O)OCCC)CC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate?

The InChIKey is ZHEMLIUYDXHKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H51N5O17/c1-3-12-50-29(42)32-7-14-45-19-20-46-15-8-33-31(44)52-18-11-35(21-26(39)53-36-24(37)5-6-25(36)38)10-17-49-28(41)23-47-22-27(40)48-16-9-34-30(43)51-13-4-2/h3-23H2,1-2H3,(H,32,42)(H,33,44)(H,34,43).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate?

(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate has a molecular weight of 765.77 g/mol, XLogP of -0.97, 29 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate is sourced from PubChem (CID 23545229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).