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

C24H40FNO3Si — CID 11750961

IUPACtert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate
SMILESCCC1(Cc2ccc(F)cc2)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H40FNO3Si/c1-10-24(15-18-11-13-19(25)14-12-18)16-20(29-30(8,9)23(5,6)7)17-26(24)21(27)28-22(2,3)4/h11-14,20H,10,15-17H2,1-9H3/t20-,24?/m1/s1
InChIKeyGMXGBNSPGMAASU-CGHJUBPDSA-N
MW437.67 g/mol
LogP6.55
Rot. Bonds5

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

tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate (PubChem CID 11750961) has the molecular formula C24H40FNO3Si and a molecular weight of 437.67 g/mol. Its IUPAC name is tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate
PubChem CID11750961
Molecular FormulaC24H40FNO3Si
Molecular Weight437.67 g/mol
Exact Mass437.28
IUPAC Nametert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate
SMILESCCC1(Cc2ccc(F)cc2)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H40FNO3Si/c1-10-24(15-18-11-13-19(25)14-12-18)16-20(29-30(8,9)23(5,6)7)17-26(24)21(27)28-22(2,3)4/h11-14,20H,10,15-17H2,1-9H3/t20-,24?/m1/s1
InChIKeyGMXGBNSPGMAASU-CGHJUBPDSA-N
XLogP6.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.67
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate (CID 11750961) is tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate is CCC1(Cc2ccc(F)cc2)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is GMXGBNSPGMAASU-CGHJUBPDSA-N. The full InChI is InChI=1S/C24H40FNO3Si/c1-10-24(15-18-11-13-19(25)14-12-18)16-20(29-30(8,9)23(5,6)7)17-26(24)21(27)28-22(2,3)4/h11-14,20H,10,15-17H2,1-9H3/t20-,24?/m1/s1.
What are the key properties of tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate?
tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 437.67 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11750961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).