tert-butyl (2R)-2-[3-[4-[4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]cyclopentyl]phenyl]phenyl]butyl]pyrrolidine-1-carboxylate;yttrium

C39H54N2O4Y-2 — CID 58294293

About tert-butyl (2R)-2-[3-[4-[4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]cyclopentyl]phenyl]phenyl]butyl]pyrrolidine-1-carboxylate;yttrium

tert-butyl (2R)-2-[3-[4-[4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]cyclopentyl]phenyl]phenyl]butyl]pyrrolidine-1-carboxylate;yttrium (PubChem CID 58294293) has the molecular formula C39H54N2O4Y-2 and a molecular weight of 703.78 g/mol. Its IUPAC name is tert-butyl (2R)-2-[3-[4-[4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]cyclopentyl]phenyl]phenyl]butyl]pyrrolidine-1-carboxylate;yttrium.

Molecular Properties

• Compound Name: tert-butyl (2R)-2-[3-[4-[4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]cyclopentyl]phenyl]phenyl]butyl]pyrrolidine-1-carboxylate;yttrium
• PubChem CID: 58294293
• Molecular Formula: C39H54N2O4Y-2
• Molecular Weight: 703.78 g/mol
• Exact Mass: 703.32
• IUPAC Name: tert-butyl (2R)-2-[3-[4-[4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]cyclopentyl]phenyl]phenyl]butyl]pyrrolidine-1-carboxylate;yttrium
• SMILES: [CH2-]C(C[CH-][C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(-c2ccc(C3CCC([C@@H]4CCCN4C(=O)OC(C)(C)C)C3)cc2)cc1.[Y]
• InChI: InChI=1S/C39H54N2O4.Y/c1-27(12-23-34-10-8-24-40(34)36(42)44-38(2,3)4)28-13-15-29(16-14-28)30-17-19-31(20-18-30)32-21-22-33(26-32)35-11-9-25-41(35)37(43)45-39(5,6)7;/h13-20,23,27,32-35H,1,8-12,21-22,24-26H2,2-7H3;/q-2;/t27?,32?,33?,34-,35-;/m0./s1
• InChIKey: NIDREYRDDMFDCQ-DHSRBWTPSA-N
• XLogP: 9.55
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.78
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[3-[4-[4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]cyclopentyl]phenyl]phenyl]butyl]pyrrolidine-1-carboxylate;yttrium?

The IUPAC name of tert-butyl (2R)-2-[3-[4-[4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]cyclopentyl]phenyl]phenyl]butyl]pyrrolidine-1-carboxylate;yttrium (CID 58294293) is tert-butyl (2R)-2-[3-[4-[4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]cyclopentyl]phenyl]phenyl]butyl]pyrrolidine-1-carboxylate;yttrium.

What is the SMILES notation for tert-butyl (2R)-2-[3-[4-[4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]cyclopentyl]phenyl]phenyl]butyl]pyrrolidine-1-carboxylate;yttrium?

The canonical SMILES for tert-butyl (2R)-2-[3-[4-[4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]cyclopentyl]phenyl]phenyl]butyl]pyrrolidine-1-carboxylate;yttrium is [CH2-]C(C[CH-][C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(-c2ccc(C3CCC([C@@H]4CCCN4C(=O)OC(C)(C)C)C3)cc2)cc1.[Y].

What is the InChIKey of tert-butyl (2R)-2-[3-[4-[4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]cyclopentyl]phenyl]phenyl]butyl]pyrrolidine-1-carboxylate;yttrium?

The InChIKey is NIDREYRDDMFDCQ-DHSRBWTPSA-N. The full InChI is InChI=1S/C39H54N2O4.Y/c1-27(12-23-34-10-8-24-40(34)36(42)44-38(2,3)4)28-13-15-29(16-14-28)30-17-19-31(20-18-30)32-21-22-33(26-32)35-11-9-25-41(35)37(43)45-39(5,6)7;/h13-20,23,27,32-35H,1,8-12,21-22,24-26H2,2-7H3;/q-2;/t27?,32?,33?,34-,35-;/m0./s1.

What are the key properties of tert-butyl (2R)-2-[3-[4-[4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]cyclopentyl]phenyl]phenyl]butyl]pyrrolidine-1-carboxylate;yttrium?

tert-butyl (2R)-2-[3-[4-[4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]cyclopentyl]phenyl]phenyl]butyl]pyrrolidine-1-carboxylate;yttrium has a molecular weight of 703.78 g/mol, XLogP of 9.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R)-2-[3-[4-[4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]cyclopentyl]phenyl]phenyl]butyl]pyrrolidine-1-carboxylate;yttrium is sourced from PubChem (CID 58294293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).