[2,2-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]-1-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl] 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate

C41H72N4O11 — CID 146528006

About [2,2-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]-1-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl] 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate

[2,2-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]-1-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl] 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate (PubChem CID 146528006) has the molecular formula C41H72N4O11 and a molecular weight of 797.04 g/mol. Its IUPAC name is [2,2-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]-1-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl] 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate.

Molecular Properties

• Compound Name: [2,2-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]-1-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl] 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
• PubChem CID: 146528006
• Molecular Formula: C41H72N4O11
• Molecular Weight: 797.04 g/mol
• Exact Mass: 796.52
• IUPAC Name: [2,2-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]-1-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl] 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
• SMILES: CON1C(C)(C)CC(C(=O)OC(OC(=O)C2CC(C)(C)NC2(C)C)C(OC(=O)C2CC(C)(C)N(OC)C2(C)C)OC(=O)C2CC(C)(C)N(OC)C2(C)C)C1(C)C
• InChI: InChI=1S/C41H72N4O11/c1-34(2)20-24(38(9,10)42-34)28(46)53-32(54-29(47)25-21-35(3,4)43(50-17)39(25,11)12)33(55-30(48)26-22-36(5,6)44(51-18)40(26,13)14)56-31(49)27-23-37(7,8)45(52-19)41(27,15)16/h24-27,32-33,42H,20-23H2,1-19H3
• InChIKey: DENDLDGHZDORJD-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 154.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	797.04
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,2-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]-1-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl] 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?

The IUPAC name of [2,2-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]-1-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl] 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate (CID 146528006) is [2,2-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]-1-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl] 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate.

What is the SMILES notation for [2,2-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]-1-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl] 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?

The canonical SMILES for [2,2-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]-1-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl] 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate is CON1C(C)(C)CC(C(=O)OC(OC(=O)C2CC(C)(C)NC2(C)C)C(OC(=O)C2CC(C)(C)N(OC)C2(C)C)OC(=O)C2CC(C)(C)N(OC)C2(C)C)C1(C)C.

What is the InChIKey of [2,2-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]-1-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl] 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?

The InChIKey is DENDLDGHZDORJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H72N4O11/c1-34(2)20-24(38(9,10)42-34)28(46)53-32(54-29(47)25-21-35(3,4)43(50-17)39(25,11)12)33(55-30(48)26-22-36(5,6)44(51-18)40(26,13)14)56-31(49)27-23-37(7,8)45(52-19)41(27,15)16/h24-27,32-33,42H,20-23H2,1-19H3.

What are the key properties of [2,2-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]-1-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl] 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?

[2,2-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]-1-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl] 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate has a molecular weight of 797.04 g/mol, XLogP of 5.30, 12 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [2,2-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]-1-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl] 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 146528006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).