2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide

C29H36BrFN2O2Si — CID 159626363

IUPAC2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide
SMILESBr.CC(C)(C)[SiH2]OC(c1ccccc1)(c1ccccc1)C1CC[C@H](N)N1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C29H35FN2O2Si.BrH/c1-28(2,3)35-34-29(22-10-6-4-7-11-22,23-12-8-5-9-13-23)26-18-19-27(31)32(26)20-25(33)21-14-16-24(30)17-15-21;/h4-17,26-27H,18-20,31,35H2,1-3H3;1H/t26?,27-;/m1./s1
InChIKeyMONTUFRWRNQHHC-MRCSROGZSA-N
MW571.61 g/mol
LogP5.60
Rot. Bonds8

About 2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide

2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide (PubChem CID 159626363) has the molecular formula C29H36BrFN2O2Si and a molecular weight of 571.61 g/mol. Its IUPAC name is 2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide
PubChem CID159626363
Molecular FormulaC29H36BrFN2O2Si
Molecular Weight571.61 g/mol
Exact Mass570.17
IUPAC Name2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide
SMILESBr.CC(C)(C)[SiH2]OC(c1ccccc1)(c1ccccc1)C1CC[C@H](N)N1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C29H35FN2O2Si.BrH/c1-28(2,3)35-34-29(22-10-6-4-7-11-22,23-12-8-5-9-13-23)26-18-19-27(31)32(26)20-25(33)21-14-16-24(30)17-15-21;/h4-17,26-27H,18-20,31,35H2,1-3H3;1H/t26?,27-;/m1./s1
InChIKeyMONTUFRWRNQHHC-MRCSROGZSA-N
XLogP5.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.61
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide 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 2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide?
The IUPAC name of 2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide (CID 159626363) is 2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide?
The canonical SMILES for 2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide is Br.CC(C)(C)[SiH2]OC(c1ccccc1)(c1ccccc1)C1CC[C@H](N)N1CC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide?
The InChIKey is MONTUFRWRNQHHC-MRCSROGZSA-N. The full InChI is InChI=1S/C29H35FN2O2Si.BrH/c1-28(2,3)35-34-29(22-10-6-4-7-11-22,23-12-8-5-9-13-23)26-18-19-27(31)32(26)20-25(33)21-14-16-24(30)17-15-21;/h4-17,26-27H,18-20,31,35H2,1-3H3;1H/t26?,27-;/m1./s1.
What are the key properties of 2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide?
2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide has a molecular weight of 571.61 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-amino-5-[tert-butylsilyloxy(diphenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide is sourced from PubChem (CID 159626363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).