1-O,3-O-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;1-O-[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;dihydrate

C147H250N12O32 — CID 157406415

About 1-O,3-O-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;1-O-[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;dihydrate

1-O,3-O-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;1-O-[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;dihydrate (PubChem CID 157406415) has the molecular formula C147H250N12O32 and a molecular weight of 2697.67 g/mol. Its IUPAC name is 1-O,3-O-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;1-O-[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;dihydrate.

Molecular Properties

• Compound Name: 1-O,3-O-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;1-O-[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;dihydrate
• PubChem CID: 157406415
• Molecular Formula: C147H250N12O32
• Molecular Weight: 2697.67 g/mol
• Exact Mass: 2695.83
• IUPAC Name: 1-O,3-O-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;1-O-[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;dihydrate
• SMILES: CC1(C)CC(COC(=O)C2CC(C(=O)OCC3CC(C)(C)N(O)C3(C)C)C(C(=O)OCC3CC(C)(C)NC3(C)C)C2C(=O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1.CC1(C)CC(COC(=O)c2ccc(C(=O)c3ccc(C(=O)OCC4CC(C)(C)NC4(C)C)c(C(=O)OCC4CC(C)(C)NC4(C)C)c3)cc2C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CO.CO.CON1C(C)(C)CC(COC(=O)C2CC(C(=O)OCC3CC(C)(C)NC3(C)C)C(C(=O)OCC3CC(C)(C)N(C)C3(C)C)C2C(=O)OCC2CC(C)(C)NC2(C)C)C1(C)C.O.O
• InChI: InChI=1S/C53H78N4O9.C47H82N4O9.C45H78N4O10.2CH4O.2H2O/c1-46(2)23-33(50(9,10)54-46)27-63-42(59)37-19-17-31(21-39(37)44(61)65-29-35-25-48(5,6)56-52(35,13)14)41(58)32-18-20-38(43(60)64-28-34-24-47(3,4)55-51(34,11)12)40(22-32)45(62)66-30-36-26-49(7,8)57-53(36,15)16;1-40(2)20-28(44(9,10)48-40)24-57-36(52)32-19-33(37(53)58-27-31-23-43(7,8)51(56-18)47(31,15)16)34(38(54)59-25-29-21-41(3,4)49-45(29,11)12)35(32)39(55)60-26-30-22-42(5,6)50(17)46(30,13)14;1-38(2)18-26(42(9,10)46-38)22-56-34(50)30-17-31(35(51)57-24-28-20-40(5,6)48(54)44(28,13)14)32(36(52)58-23-27-19-39(3,4)47-43(27,11)12)33(30)37(53)59-25-29-21-41(7,8)49(55)45(29,15)16;2*1-2;;/h17-22,33-36,54-57H,23-30H2,1-16H3;28-35,48-49H,19-27H2,1-18H3;26-33,46-47,54-55H,17-25H2,1-16H3;2*2H,1H3;2*1H2
• InChIKey: ZXLJSMWCOQJBBC-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 595.02 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 39
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2697.67
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-O,3-O-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;1-O-[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;dihydrate?

The IUPAC name of 1-O,3-O-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;1-O-[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;dihydrate (CID 157406415) is 1-O,3-O-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;1-O-[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;dihydrate.

What is the SMILES notation for 1-O,3-O-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;1-O-[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;dihydrate?

The canonical SMILES for 1-O,3-O-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;1-O-[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;dihydrate is CC1(C)CC(COC(=O)C2CC(C(=O)OCC3CC(C)(C)N(O)C3(C)C)C(C(=O)OCC3CC(C)(C)NC3(C)C)C2C(=O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1.CC1(C)CC(COC(=O)c2ccc(C(=O)c3ccc(C(=O)OCC4CC(C)(C)NC4(C)C)c(C(=O)OCC4CC(C)(C)NC4(C)C)c3)cc2C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CO.CO.CON1C(C)(C)CC(COC(=O)C2CC(C(=O)OCC3CC(C)(C)NC3(C)C)C(C(=O)OCC3CC(C)(C)N(C)C3(C)C)C2C(=O)OCC2CC(C)(C)NC2(C)C)C1(C)C.O.O.

What is the InChIKey of 1-O,3-O-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;1-O-[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;dihydrate?

The InChIKey is ZXLJSMWCOQJBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H78N4O9.C47H82N4O9.C45H78N4O10.2CH4O.2H2O/c1-46(2)23-33(50(9,10)54-46)27-63-42(59)37-19-17-31(21-39(37)44(61)65-29-35-25-48(5,6)56-52(35,13)14)41(58)32-18-20-38(43(60)64-28-34-24-47(3,4)55-51(34,11)12)40(22-32)45(62)66-30-36-26-49(7,8)57-53(36,15)16;1-40(2)20-28(44(9,10)48-40)24-57-36(52)32-19-33(37(53)58-27-31-23-43(7,8)51(56-18)47(31,15)16)34(38(54)59-25-29-21-41(3,4)49-45(29,11)12)35(32)39(55)60-26-30-22-42(5,6)50(17)46(30,13)14;1-38(2)18-26(42(9,10)46-38)22-56-34(50)30-17-31(35(51)57-24-28-20-40(5,6)48(54)44(28,13)14)32(36(52)58-23-27-19-39(3,4)47-43(27,11)12)33(30)37(53)59-25-29-21-41(7,8)49(55)45(29,15)16;2*1-2;;/h17-22,33-36,54-57H,23-30H2,1-16H3;28-35,48-49H,19-27H2,1-18H3;26-33,46-47,54-55H,17-25H2,1-16H3;2*2H,1H3;2*1H2.

What are the key properties of 1-O,3-O-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;1-O-[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;dihydrate?

1-O,3-O-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;1-O-[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;dihydrate has a molecular weight of 2697.67 g/mol, XLogP of 17.99, 39 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O,3-O-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;1-O-[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 2-O,4-O-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate;dihydrate is sourced from PubChem (CID 157406415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).