1-(Tert-butoxycarbonyl)-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: 1-(Tert-butoxycarbonyl)-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid
• CAS No.: 885270-65-5
• Molecular Formula: C17H20N2O4
• Molecular Weight: 316.35
• DSSTox Substance ID: DTXSID001158450
• Mol file: 885270-65-5.mol

Synonyms:1-(tert-butoxycarbonyl)-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid;885270-65-5;4-(4-cyanophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(3R,4S)-4-(4-cyanophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;BOC-(+/-)-TRANS-4-(4-CYANO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID;DTXSID001158450;AKOS032947815;1-(1,1-Dimethylethyl) 4-(4-cyanophenyl)-1,3-pyrrolidinedicarboxylate

Chemical Property of 1-(Tert-butoxycarbonyl)-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid

Chemical Property:

• Boiling Point: 500.7±50.0 °C(Predicted)
• PKA: 4.24±0.40(Predicted)
• PSA: 90.63000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 2.53128
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 316.14230712
• Heavy Atom Count: 23
• Complexity: 508

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC=C(C=C2)C#N