(2S,4R)-4-(2-Chlorobenzyl)pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: (2S,4R)-4-(2-Chlorobenzyl)pyrrolidine-2-carboxylic acid
• CAS No.: 1049978-05-3
• Molecular Formula: C12H14ClNO2
• Molecular Weight: 239.7
• DSSTox Substance ID: DTXSID30376003
• ChEMBL ID: CHEMBL4117705
• Mol file: 1049978-05-3.mol

Synonyms:(2S,4R)-4-(2-Chlorobenzyl)pyrrolidine-2-carboxylic acid;1049978-05-3;(2S,4R)-4-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-(2-Chlorobenzyl)pyrrolidine-2-carboxylicacid;CHEMBL4117705;DTXSID30376003;AKOS016010931;(4R)-4-[(2-chlorophenyl)methyl]-L-Proline;A896093

Chemical Property of (2S,4R)-4-(2-Chlorobenzyl)pyrrolidine-2-carboxylic acid

Chemical Property:

• PSA: 49.33000
• LogP: 2.27400
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 239.0713064
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

98%min ^*data from raw suppliers

(2S,4R)-4-(2-Chlorobenzyl)pyrrolidine-2-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CNC1C(=O)O)CC2=CC=CC=C2Cl
• Isomeric SMILES: C1[C@H](CN[C@@H]1C(=O)O)CC2=CC=CC=C2Cl