2-[3-Benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-3-phenylpropanoic acid

Base Information

• Chemical Name: 2-[3-Benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-3-phenylpropanoic acid
• CAS No.: 193091-13-3
• Molecular Formula: C25H30 N2 O5
• Molecular Weight: 438.52
• Hs Code.: 29335990
• DSSTox Substance ID: DTXSID50405728
• Mol file: 193091-13-3.mol

Synonyms:(2S,3'S)-2-(4'-Boc-3'-benzyl-2'-oxo-piperazin-1-yl)-3-phenylpropionic acid;193091-13-3;2-[3-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-3-phenylpropanoic acid;(2S,3/'S)-2-(4/'-BOC-3/'-BENZYL-2/'-OXO-PIPERAZIN-1-YL)-3-PHENYL-PROPIONIC ACID;(2S,3'S)-2-(4'-Boc-3'-benzyl-2'-oxo-piperazin-1-yl)-3-phenyl-propionic acid;DTXSID50405728;AKOS030241694

Chemical Property of 2-[3-Benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-3-phenylpropanoic acid

Chemical Property:

• Boiling Point: 624.3±55.0 °C(Predicted)
• PKA: 3.55±0.10(Predicted)
• PSA: 87.15000
• Density: 1.224±0.06 g/cm3(Predicted)
• LogP: 3.24870
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 438.21547206
• Heavy Atom Count: 32
• Complexity: 662

Purity/Quality:

(2S,3'S)-2-(4'-Boc-3'-benzyl-2'-oxo-piperazin-1-yl)-3-phenylpropionic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(C(=O)C1CC2=CC=CC=C2)C(CC3=CC=CC=C3)C(=O)O