(S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid

Base Information

• Chemical Name: (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid
• CAS No.: 270062-90-3
• Molecular Formula: C16H23NO4
• Molecular Weight: 293.36
• DSSTox Substance ID: DTXSID301147181
• Mol file: 270062-90-3.mol

Synonyms:270062-90-3;(S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid;Boc-(S)-3-Amino-4-(2-methyl-phenyl)-butyric acid;Boc-(S)-3-Amino-4-(2-methylphenyl)butanoic acid;Boc-(S)-3-amino-4-(2-methylphenyl)-butyric acid;(3S)-4-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(2-methylphenyl)butanoic acid;MFCD01861020;Boc-2-methyl-L-beta-homophenylalanine;DTXSID301147181;AKOS015948843;FD10298;AC-22224;PS-12258;CS-0152966;(S)-3-(tert-butoxycarbonylamino)-4-o-tolylbutanoic acid;(S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoicacid;(betaS)-beta-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-methylbenzenebutanoic acid

Chemical Property of (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid

Chemical Property:

• Vapor Pressure: 2.85E-09mmHg at 25°C
• Refractive Index: 1.523
• Boiling Point: 460.395 °C at 760 mmHg
• PKA: 4.43±0.10(Predicted)
• Flash Point: 232.239 °C
• PSA: 75.63000
• Density: 1.122 g/cm³
• LogP: 3.29640
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 293.16270821
• Heavy Atom Count: 21
• Complexity: 362

Purity/Quality:

98%min ^*data from raw suppliers

Boc-(S)-3-amino-4-(2-methylphenyl)-butyric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CC(CC(=O)O)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC1=CC=CC=C1C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C