(S)-3-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid

Base Information

• Chemical Name: (S)-3-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid
• CAS No.: 499995-77-6
• Molecular Formula: C15H21NO5
• Molecular Weight: 295.33
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60426606
• Wikidata: Q82239471
• Mol file: 499995-77-6.mol

Synonyms:499995-77-6;(S)-3-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid;Boc-(S)-3-Amino-3-(3-methoxy-phenyl)-propionic acid;Boc-3-Methoxy-L-b-phenylalanine;(3S)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;Boc-(S)-3-amino-3-(3-methoxyphenyl)propionic acid;(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(3-methoxyphenyl)propanoic acid;SCHEMBL16301264;DTXSID60426606;MFCD03427899;AKOS016843363;FS-6008;AC-25433;CS-0154510;A50449;EN300-1162720;boc-(s)-3-amino-3-(3-methoxyphenyl)propanoic acid;(S)-Boc-3-methoxy-beta-Phe-OH, >=98.0% (HPLC);(3S)-3-[(tert-Butoxycarbonyl)amino]-3-(3-methoxyphenyl)propanoic acid;(S)-3-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoicacid

Chemical Property of (S)-3-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid

Chemical Property:

• Boiling Point: 458.5±45.0 °C(Predicted)
• PKA: 4.33±0.10(Predicted)
• PSA: 84.86000
• Density: 1.167±0.06 g/cm3(Predicted)
• LogP: 3.12660
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 295.14197277
• Heavy Atom Count: 21
• Complexity: 364

Purity/Quality:

98%min ^*data from raw suppliers

Boc-(S)-3-Amino-3-(3-methoxyphenyl)propionicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=CC=C1)OC
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC(=CC=C1)OC