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

C25H40FNO4Si — CID 67490993

IUPACtert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
SMILESC[C@H](c1ccccc1)N1C[C@@](CCO[Si](C)(C)C(C)(C)C)(C(=O)OC(C)(C)C)C(F)C1=O
InChIInChI=1S/C25H40FNO4Si/c1-18(19-13-11-10-12-14-19)27-17-25(20(26)21(27)28,22(29)31-23(2,3)4)15-16-30-32(8,9)24(5,6)7/h10-14,18,20H,15-17H2,1-9H3/t18-,20?,25-/m1/s1
InChIKeyDMWUDNMWKHRKFW-ASJCNJLOSA-N
MW465.68 g/mol
LogP5.67
Rot. Bonds7

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

tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate (PubChem CID 67490993) has the molecular formula C25H40FNO4Si and a molecular weight of 465.68 g/mol. Its IUPAC name is tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
PubChem CID67490993
Molecular FormulaC25H40FNO4Si
Molecular Weight465.68 g/mol
Exact Mass465.27
IUPAC Nametert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
SMILESC[C@H](c1ccccc1)N1C[C@@](CCO[Si](C)(C)C(C)(C)C)(C(=O)OC(C)(C)C)C(F)C1=O
InChIInChI=1S/C25H40FNO4Si/c1-18(19-13-11-10-12-14-19)27-17-25(20(26)21(27)28,22(29)31-23(2,3)4)15-16-30-32(8,9)24(5,6)7/h10-14,18,20H,15-17H2,1-9H3/t18-,20?,25-/m1/s1
InChIKeyDMWUDNMWKHRKFW-ASJCNJLOSA-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 (3S)-3-[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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate (CID 67490993) is tert-butyl (3S)-3-[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 (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate is C[C@H](c1ccccc1)N1C[C@@](CCO[Si](C)(C)C(C)(C)C)(C(=O)OC(C)(C)C)C(F)C1=O.
What is the InChIKey of tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate?
The InChIKey is DMWUDNMWKHRKFW-ASJCNJLOSA-N. The full InChI is InChI=1S/C25H40FNO4Si/c1-18(19-13-11-10-12-14-19)27-17-25(20(26)21(27)28,22(29)31-23(2,3)4)15-16-30-32(8,9)24(5,6)7/h10-14,18,20H,15-17H2,1-9H3/t18-,20?,25-/m1/s1.
What are the key properties of tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate?
tert-butyl (3S)-3-[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 (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 67490993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).