(2S,4S)-1-(tert-Butoxycarbonyl)-4-[4-(tert-butyl)-2-chlorophenoxy]-2-pyrrolidinecarboxylic acid

Base Information

• Chemical Name: (2S,4S)-1-(tert-Butoxycarbonyl)-4-[4-(tert-butyl)-2-chlorophenoxy]-2-pyrrolidinecarboxylic acid
• CAS No.: 1354486-72-8
• Molecular Formula: C20H28ClNO5
• Molecular Weight: 397.9
• DSSTox Substance ID: DTXSID001106580
• Mol file: 1354486-72-8.mol

Synonyms:1354486-72-8;(2S,4S)-1-(tert-Butoxycarbonyl)-4-[4-(tert-butyl)-2-chlorophenoxy]-2-pyrrolidinecarboxylic acid;(2S,4S)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)-2-chlorophenoxy)pyrrolidine-2-carboxylic acid;(2S,4S)-4-(4-tert-butyl-2-chlorophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;DTXSID001106580;AKOS015838004;(2S,4S)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)-2-chlorophenoxy)pyrrolidine-2-carboxylicacid;(2S,4S)-1-[(tert-butoxy)carbonyl]-4-(4-tert-butyl-2-chlorophenoxy)pyrrolidine-2-carboxylic acid;1,2-Pyrrolidinedicarboxylic acid, 4-[2-chloro-4-(1,1-dimethylethyl)phenoxy]-, 1-(1,1-dimethylethyl) ester, (2S,4S)-

Chemical Property of (2S,4S)-1-(tert-Butoxycarbonyl)-4-[4-(tert-butyl)-2-chlorophenoxy]-2-pyrrolidinecarboxylic acid

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 397.1656007
• Heavy Atom Count: 27
• Complexity: 554

Purity/Quality:

98%min ^*data from raw suppliers

(2S,4S)-1-(tert-Butoxycarbonyl)-4-[4-(tert-butyl)-2-chlorophenoxy]-2-pyrrolidinecarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)OC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)O)Cl
• Isomeric SMILES: CC(C)(C)C1=CC(=C(C=C1)O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)O)Cl