(2S,4S)-1-(tert-Butoxycarbonyl)-4-[2-chloro-4-(tert-pentyl)phenoxy]-2-pyrrolidinecarboxylic acid

Base Information

• Chemical Name: (2S,4S)-1-(tert-Butoxycarbonyl)-4-[2-chloro-4-(tert-pentyl)phenoxy]-2-pyrrolidinecarboxylic acid
• CAS No.: 1354485-82-7
• Molecular Formula: C21H30ClNO5
• Molecular Weight: 411.9
• DSSTox Substance ID: DTXSID701106317
• Mol file: 1354485-82-7.mol

Synonyms:1354485-82-7;(2S,4S)-1-(tert-Butoxycarbonyl)-4-[2-chloro-4-(tert-pentyl)phenoxy]-2-pyrrolidinecarboxylic acid;(2S,4S)-1-(tert-Butoxycarbonyl)-4-(2-chloro-4-(tert-pentyl)phenoxy)pyrrolidine-2-carboxylic acid;(2S,4S)-4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;DTXSID701106317;AKOS015838005;(2S,4S)-1-(tert-Butoxycarbonyl)-4-(2-chloro-4-(tert-pentyl)phenoxy)pyrrolidine-2-carboxylicacid;(2S,4S)-1-[(tert-butoxy)carbonyl]-4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]pyrrolidine-2-carboxylic acid;1,2-Pyrrolidinedicarboxylic acid, 4-[2-chloro-4-(1,1-dimethylpropyl)phenoxy]-, 1-(1,1-dimethylethyl) ester, (2S,4S)-

Chemical Property of (2S,4S)-1-(tert-Butoxycarbonyl)-4-[2-chloro-4-(tert-pentyl)phenoxy]-2-pyrrolidinecarboxylic acid

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 411.1812508
• Heavy Atom Count: 28
• Complexity: 574

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCC(C)(C)C1=CC(=C(C=C1)OC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)O)Cl
• Isomeric SMILES: CCC(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