tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate

C23H38FNO4Si — CID 11293579

IUPACtert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)CC1(CO)Cc1ccc(F)cc1
InChIInChI=1S/C23H38FNO4Si/c1-21(2,3)28-20(27)25-15-19(29-30(7,8)22(4,5)6)14-23(25,16-26)13-17-9-11-18(24)12-10-17/h9-12,19,26H,13-16H2,1-8H3/t19-,23?/m1/s1
InChIKeyPJYWEWWPLHLOLV-HWYAHNCWSA-N
MW439.64 g/mol
LogP5.13
Rot. Bonds5

About tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate

tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate (PubChem CID 11293579) has the molecular formula C23H38FNO4Si and a molecular weight of 439.64 g/mol. Its IUPAC name is tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
PubChem CID11293579
Molecular FormulaC23H38FNO4Si
Molecular Weight439.64 g/mol
Exact Mass439.26
IUPAC Nametert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)CC1(CO)Cc1ccc(F)cc1
InChIInChI=1S/C23H38FNO4Si/c1-21(2,3)28-20(27)25-15-19(29-30(7,8)22(4,5)6)14-23(25,16-26)13-17-9-11-18(24)12-10-17/h9-12,19,26H,13-16H2,1-8H3/t19-,23?/m1/s1
InChIKeyPJYWEWWPLHLOLV-HWYAHNCWSA-N
XLogP5.13
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.64
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate (CID 11293579) is tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)CC1(CO)Cc1ccc(F)cc1.
What is the InChIKey of tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is PJYWEWWPLHLOLV-HWYAHNCWSA-N. The full InChI is InChI=1S/C23H38FNO4Si/c1-21(2,3)28-20(27)25-15-19(29-30(7,8)22(4,5)6)14-23(25,16-26)13-17-9-11-18(24)12-10-17/h9-12,19,26H,13-16H2,1-8H3/t19-,23?/m1/s1.
What are the key properties of tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 439.64 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 11293579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).