tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate

C25H40FNO4Si — CID 86719752

IUPACtert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
SMILESC[C@H](c1ccccc1)N1C(=O)C(F)C(C(=O)OC(C)(C)C)C1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H40FNO4Si/c1-17(18-13-11-10-12-14-18)27-19(15-16-30-32(8,9)25(5,6)7)20(21(26)22(27)28)23(29)31-24(2,3)4/h10-14,17,19-21H,15-16H2,1-9H3/t17-,19?,20?,21?/m1/s1
InChIKeyMZFCYSGDZLQLQK-LZYMCNDNSA-N
MW465.68 g/mol
LogP5.67
Rot. Bonds7

About tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate

tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate (PubChem CID 86719752) has the molecular formula C25H40FNO4Si and a molecular weight of 465.68 g/mol. Its IUPAC name is tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
PubChem CID86719752
Molecular FormulaC25H40FNO4Si
Molecular Weight465.68 g/mol
Exact Mass465.27
IUPAC Nametert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
SMILESC[C@H](c1ccccc1)N1C(=O)C(F)C(C(=O)OC(C)(C)C)C1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H40FNO4Si/c1-17(18-13-11-10-12-14-18)27-19(15-16-30-32(8,9)25(5,6)7)20(21(26)22(27)28)23(29)31-24(2,3)4/h10-14,17,19-21H,15-16H2,1-9H3/t17-,19?,20?,21?/m1/s1
InChIKeyMZFCYSGDZLQLQK-LZYMCNDNSA-N
XLogP5.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.68
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2S,3S,alphaS-tert-butyl-3-(benzyl(1-phenylethyl)amino)-5-(tert-butyldimethylsilyloxy)-2-fluoropentanoate
CID 49841734
tert-butyl (2S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate
CID 135064651
3(S)-(3-Fluorophenyl)-3-[2-oxo-3-(4-oxo-pentyl)-pyrrolidin-1-yl]-propionic acid ethyl ester
CID 15453761
Ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate
CID 57176154
(3S)-4-Fluoro-3-(3-hydroxy-1-propyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid tert-butyl ester
CID 67490810
(3S)-3-[3-(tert-Butyldimethylsilyloxy)-1-propyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid tert-butyl ester
CID 67490908
(3S)-3-[2-(tert-butyldimethylsilyloxy)ethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid tert-butyl ester
CID 67490993
tert-butyl (2R,4R,5R)-1-benzyl-4-[[1-fluorobutyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-2-carboxylate
CID 88072183
(3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 153927152
3-Methylbutan-2-yl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
CID 175838034
tert-butyl (4R)-4-[(1S)-1-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101082438
tert-butyl (2S,3S,5R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-ethoxy-2-oxoethyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxylate
CID 44596375

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate?
The IUPAC name of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate (CID 86719752) is tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate is C[C@H](c1ccccc1)N1C(=O)C(F)C(C(=O)OC(C)(C)C)C1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate?
The InChIKey is MZFCYSGDZLQLQK-LZYMCNDNSA-N. The full InChI is InChI=1S/C25H40FNO4Si/c1-17(18-13-11-10-12-14-18)27-19(15-16-30-32(8,9)25(5,6)7)20(21(26)22(27)28)23(29)31-24(2,3)4/h10-14,17,19-21H,15-16H2,1-9H3/t17-,19?,20?,21?/m1/s1.
What are the key properties of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate?
tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate has a molecular weight of 465.68 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 86719752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).