ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate

C51H88N2O15 — CID 58249289

About ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate

ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate (PubChem CID 58249289) has the molecular formula C51H88N2O15 and a molecular weight of 969.26 g/mol. Its IUPAC name is ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate.

Molecular Properties

• Compound Name: ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate
• PubChem CID: 58249289
• Molecular Formula: C51H88N2O15
• Molecular Weight: 969.26 g/mol
• Exact Mass: 968.62
• IUPAC Name: ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate
• SMILES: CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCC(=O)CC(CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C
• InChI: InChI=1S/C51H88N2O15/c1-50(2,3)66-47(59)26-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-24-42(54)38-41(49(61)67-51(4,5)6)27-28-44(56)52-31-33-63-35-36-64-39-43(55)25-23-32-62-34-37-65-40-48(60)68-53-45(57)29-30-46(53)58/h41H,7-40H2,1-6H3,(H,52,56)
• InChIKey: LIMVVRJZGYLDGK-UHFFFAOYSA-N
• XLogP: 8.19
• TPSA: 216.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 43
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	969.26
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

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 ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate?

The IUPAC name of ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate (CID 58249289) is ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate.

What is the SMILES notation for ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate?

The canonical SMILES for ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate is CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCC(=O)CC(CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C.

What is the InChIKey of ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate?

The InChIKey is LIMVVRJZGYLDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H88N2O15/c1-50(2,3)66-47(59)26-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-24-42(54)38-41(49(61)67-51(4,5)6)27-28-44(56)52-31-33-63-35-36-64-39-43(55)25-23-32-62-34-37-65-40-48(60)68-53-45(57)29-30-46(53)58/h41H,7-40H2,1-6H3,(H,52,56).

What are the key properties of ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate?

ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate has a molecular weight of 969.26 g/mol, XLogP of 8.19, 43 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate is sourced from PubChem (CID 58249289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).