ethyl 2-[(2R,4R)-4-hydroxy-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetate

C32H39NO7 — CID 11353358

About ethyl 2-[(2R,4R)-4-hydroxy-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetate

ethyl 2-[(2R,4R)-4-hydroxy-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetate (PubChem CID 11353358) has the molecular formula C32H39NO7 and a molecular weight of 549.66 g/mol. Its IUPAC name is ethyl 2-[(2R,4R)-4-hydroxy-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[(2R,4R)-4-hydroxy-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetate
• PubChem CID: 11353358
• Molecular Formula: C32H39NO7
• Molecular Weight: 549.66 g/mol
• Exact Mass: 549.27
• IUPAC Name: ethyl 2-[(2R,4R)-4-hydroxy-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetate
• SMILES: CCOC(=O)C[C@H]1C[C@@H](O)CN1CCOC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
• InChI: InChI=1S/C32H39NO7/c1-5-39-31(35)21-26-20-27(34)22-33(26)18-19-40-32(23-6-12-28(36-2)13-7-23,24-8-14-29(37-3)15-9-24)25-10-16-30(38-4)17-11-25/h6-17,26-27,34H,5,18-22H2,1-4H3/t26-,27-/m1/s1
• InChIKey: NQRZKPCOUUQCDA-KAYWLYCHSA-N
• XLogP: 4.41
• TPSA: 86.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.66
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,4R)-4-hydroxy-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetate?

The IUPAC name of ethyl 2-[(2R,4R)-4-hydroxy-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetate (CID 11353358) is ethyl 2-[(2R,4R)-4-hydroxy-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetate.

What is the SMILES notation for ethyl 2-[(2R,4R)-4-hydroxy-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetate?

The canonical SMILES for ethyl 2-[(2R,4R)-4-hydroxy-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetate is CCOC(=O)C[C@H]1C[C@@H](O)CN1CCOC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.

What is the InChIKey of ethyl 2-[(2R,4R)-4-hydroxy-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetate?

The InChIKey is NQRZKPCOUUQCDA-KAYWLYCHSA-N. The full InChI is InChI=1S/C32H39NO7/c1-5-39-31(35)21-26-20-27(34)22-33(26)18-19-40-32(23-6-12-28(36-2)13-7-23,24-8-14-29(37-3)15-9-24)25-10-16-30(38-4)17-11-25/h6-17,26-27,34H,5,18-22H2,1-4H3/t26-,27-/m1/s1.

What are the key properties of ethyl 2-[(2R,4R)-4-hydroxy-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetate?

ethyl 2-[(2R,4R)-4-hydroxy-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetate has a molecular weight of 549.66 g/mol, XLogP of 4.41, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[(2R,4R)-4-hydroxy-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetate is sourced from PubChem (CID 11353358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).