2-(4-methoxyphenyl)ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-(4-methoxyphenyl)ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate

C135H184N6O16 — CID 158370063

About 2-(4-methoxyphenyl)ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-(4-methoxyphenyl)ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate

2-(4-methoxyphenyl)ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-(4-methoxyphenyl)ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate (PubChem CID 158370063) has the molecular formula C135H184N6O16 and a molecular weight of 2146.98 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-(4-methoxyphenyl)ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-(4-methoxyphenyl)ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
• PubChem CID: 158370063
• Molecular Formula: C135H184N6O16
• Molecular Weight: 2146.98 g/mol
• Exact Mass: 2145.38
• IUPAC Name: 2-(4-methoxyphenyl)ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-(4-methoxyphenyl)ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
• SMILES: COc1ccc(-c2ccc(CCOC(=O)C3CC(C)(C)N(C)C3(C)C)cc2)cc1.COc1ccc(-c2ccc(CCOC(=O)C3CC(C)(C)NC3(C)C)cc2)cc1.COc1ccc(CCOC(=O)C2CC(C)(C)N(C)C2(C)C)cc1.COc1ccc(CCOC(=O)C2CC(C)(C)NC2(C)C)cc1.Cc1ccc(-c2ccc(CCOC(=O)C3CC(C)(C)N(C)C3(C)C)cc2)cc1.Cc1ccc(-c2ccc(CCOC(=O)C3CC(C)(C)NC3(C)C)cc2)cc1
• InChI: InChI=1S/C25H33NO3.C25H33NO2.C24H31NO3.C24H31NO2.C19H29NO3.C18H27NO3/c1-24(2)17-22(25(3,4)26(24)5)23(27)29-16-15-18-7-9-19(10-8-18)20-11-13-21(28-6)14-12-20;1-18-7-11-20(12-8-18)21-13-9-19(10-14-21)15-16-28-23(27)22-17-24(2,3)26(6)25(22,4)5;1-23(2)16-21(24(3,4)25-23)22(26)28-15-14-17-6-8-18(9-7-17)19-10-12-20(27-5)13-11-19;1-17-6-10-19(11-7-17)20-12-8-18(9-13-20)14-15-27-22(26)21-16-23(2,3)25-24(21,4)5;1-18(2)13-16(19(3,4)20(18)5)17(21)23-12-11-14-7-9-15(22-6)10-8-14;1-17(2)12-15(18(3,4)19-17)16(20)22-11-10-13-6-8-14(21-5)9-7-13/h7-14,22H,15-17H2,1-6H3;7-14,22H,15-17H2,1-6H3;6-13,21,25H,14-16H2,1-5H3;6-13,21,25H,14-16H2,1-5H3;7-10,16H,11-13H2,1-6H3;6-9,15,19H,10-12H2,1-5H3
• InChIKey: GUMSSKYJFBUEJG-UHFFFAOYSA-N
• XLogP: 25.98
• TPSA: 240.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 32
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2146.98
LogP ≤ 5	25.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-(4-methoxyphenyl)ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?

The IUPAC name of 2-(4-methoxyphenyl)ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-(4-methoxyphenyl)ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate (CID 158370063) is 2-(4-methoxyphenyl)ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-(4-methoxyphenyl)ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate.

What is the SMILES notation for 2-(4-methoxyphenyl)ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-(4-methoxyphenyl)ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?

The canonical SMILES for 2-(4-methoxyphenyl)ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-(4-methoxyphenyl)ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate is COc1ccc(-c2ccc(CCOC(=O)C3CC(C)(C)N(C)C3(C)C)cc2)cc1.COc1ccc(-c2ccc(CCOC(=O)C3CC(C)(C)NC3(C)C)cc2)cc1.COc1ccc(CCOC(=O)C2CC(C)(C)N(C)C2(C)C)cc1.COc1ccc(CCOC(=O)C2CC(C)(C)NC2(C)C)cc1.Cc1ccc(-c2ccc(CCOC(=O)C3CC(C)(C)N(C)C3(C)C)cc2)cc1.Cc1ccc(-c2ccc(CCOC(=O)C3CC(C)(C)NC3(C)C)cc2)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-(4-methoxyphenyl)ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?

The InChIKey is GUMSSKYJFBUEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO3.C25H33NO2.C24H31NO3.C24H31NO2.C19H29NO3.C18H27NO3/c1-24(2)17-22(25(3,4)26(24)5)23(27)29-16-15-18-7-9-19(10-8-18)20-11-13-21(28-6)14-12-20;1-18-7-11-20(12-8-18)21-13-9-19(10-14-21)15-16-28-23(27)22-17-24(2,3)26(6)25(22,4)5;1-23(2)16-21(24(3,4)25-23)22(26)28-15-14-17-6-8-18(9-7-17)19-10-12-20(27-5)13-11-19;1-17-6-10-19(11-7-17)20-12-8-18(9-13-20)14-15-27-22(26)21-16-23(2,3)25-24(21,4)5;1-18(2)13-16(19(3,4)20(18)5)17(21)23-12-11-14-7-9-15(22-6)10-8-14;1-17(2)12-15(18(3,4)19-17)16(20)22-11-10-13-6-8-14(21-5)9-7-13/h7-14,22H,15-17H2,1-6H3;7-14,22H,15-17H2,1-6H3;6-13,21,25H,14-16H2,1-5H3;6-13,21,25H,14-16H2,1-5H3;7-10,16H,11-13H2,1-6H3;6-9,15,19H,10-12H2,1-5H3.

What are the key properties of 2-(4-methoxyphenyl)ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-(4-methoxyphenyl)ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?

2-(4-methoxyphenyl)ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-(4-methoxyphenyl)ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate has a molecular weight of 2146.98 g/mol, XLogP of 25.98, 32 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-(4-methoxyphenyl)ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methoxyphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-methylphenyl)phenyl]ethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 158370063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).