1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate

C34H63N3O8 — CID 146527756

About 1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate

1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate (PubChem CID 146527756) has the molecular formula C34H63N3O8 and a molecular weight of 641.89 g/mol. Its IUPAC name is 1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate.

Molecular Properties

• Compound Name: 1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate
• PubChem CID: 146527756
• Molecular Formula: C34H63N3O8
• Molecular Weight: 641.89 g/mol
• Exact Mass: 641.46
• IUPAC Name: 1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate
• SMILES: CC1(C)CC(COC(=O)CC(CC(=O)OCC2CC(C)(C)N(O)C2(C)C)CC(O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1
• InChI: InChI=1S/C34H63N3O8/c1-29(2)16-23(32(7,8)35-29)19-43-26(38)13-22(14-27(39)44-20-24-17-30(3,4)36(41)33(24,9)10)15-28(40)45-21-25-18-31(5,6)37(42)34(25,11)12/h22-25,27,35,39,41-42H,13-21H2,1-12H3
• InChIKey: LRBDQZZANGAQQD-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 141.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.89
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

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 1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate?

The IUPAC name of 1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate (CID 146527756) is 1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate.

What is the SMILES notation for 1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate?

The canonical SMILES for 1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate is CC1(C)CC(COC(=O)CC(CC(=O)OCC2CC(C)(C)N(O)C2(C)C)CC(O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1.

What is the InChIKey of 1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate?

The InChIKey is LRBDQZZANGAQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H63N3O8/c1-29(2)16-23(32(7,8)35-29)19-43-26(38)13-22(14-27(39)44-20-24-17-30(3,4)36(41)33(24,9)10)15-28(40)45-21-25-18-31(5,6)37(42)34(25,11)12/h22-25,27,35,39,41-42H,13-21H2,1-12H3.

What are the key properties of 1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate?

1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate has a molecular weight of 641.89 g/mol, XLogP of 4.90, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate is sourced from PubChem (CID 146527756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).