tert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate

C21H34FNO3Si — CID 66694402

IUPACtert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](CC(C)(C)[Si](C)(C)O)CC1c1cccc(F)c1
InChIInChI=1S/C21H34FNO3Si/c1-20(2,3)26-19(24)23-14-15(13-21(4,5)27(6,7)25)11-18(23)16-9-8-10-17(22)12-16/h8-10,12,15,18,25H,11,13-14H2,1-7H3/t15-,18?/m0/s1
InChIKeyCKYAJKGJZSJUQY-BUSXIPJBSA-N
MW395.59 g/mol
LogP5.49
Rot. Bonds4

About tert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate

tert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate (PubChem CID 66694402) has the molecular formula C21H34FNO3Si and a molecular weight of 395.59 g/mol. Its IUPAC name is tert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate
PubChem CID66694402
Molecular FormulaC21H34FNO3Si
Molecular Weight395.59 g/mol
Exact Mass395.23
IUPAC Nametert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](CC(C)(C)[Si](C)(C)O)CC1c1cccc(F)c1
InChIInChI=1S/C21H34FNO3Si/c1-20(2,3)26-19(24)23-14-15(13-21(4,5)27(6,7)25)11-18(23)16-9-8-10-17(22)12-16/h8-10,12,15,18,25H,11,13-14H2,1-7H3/t15-,18?/m0/s1
InChIKeyCKYAJKGJZSJUQY-BUSXIPJBSA-N
XLogP5.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-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 (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate (CID 66694402) is tert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](CC(C)(C)[Si](C)(C)O)CC1c1cccc(F)c1.
What is the InChIKey of tert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate?
The InChIKey is CKYAJKGJZSJUQY-BUSXIPJBSA-N. The full InChI is InChI=1S/C21H34FNO3Si/c1-20(2,3)26-19(24)23-14-15(13-21(4,5)27(6,7)25)11-18(23)16-9-8-10-17(22)12-16/h8-10,12,15,18,25H,11,13-14H2,1-7H3/t15-,18?/m0/s1.
What are the key properties of tert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate?
tert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate has a molecular weight of 395.59 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-2-(3-fluorophenyl)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 66694402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).