(S)-1-(tert-Butoxycarbonyl)-2-(2-methylbenzyl)pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: (S)-1-(tert-Butoxycarbonyl)-2-(2-methylbenzyl)pyrrolidine-2-carboxylic acid
• CAS No.: 1217669-63-0
• Molecular Formula: C18H25NO4
• Molecular Weight: 319.4
• DSSTox Substance ID: DTXSID50428018
• Wikidata: Q82240781
• Mol file: 1217669-63-0.mol

Synonyms:1217669-63-0;(S)-1-(tert-Butoxycarbonyl)-2-(2-methylbenzyl)pyrrolidine-2-carboxylic acid;(2S)-2-[(2-methylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid;BOC-(S)-ALPHA-(2-METHYL-BENZYL)-PROLINE;starbld0000429;DTXSID50428018;MFCD06796769;PS-12559;(2S)-1-[(tert-butoxy)carbonyl]-2-[(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid

Chemical Property of (S)-1-(tert-Butoxycarbonyl)-2-(2-methylbenzyl)pyrrolidine-2-carboxylic acid

Chemical Property:

• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 319.17835828
• Heavy Atom Count: 23
• Complexity: 456

Purity/Quality:

98%min ^*data from raw suppliers

(S)-1-(tert-Butoxycarbonyl)-2-(2-methylbenzyl)pyrrolidine-2-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1CC2(CCCN2C(=O)OC(C)(C)C)C(=O)O
• Isomeric SMILES: CC1=CC=CC=C1C[C@@]2(CCCN2C(=O)OC(C)(C)C)C(=O)O