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

Base Information

• Chemical Name: (S)-1-(tert-Butoxycarbonyl)-2-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid
• CAS No.: 1217814-62-4
• Molecular Formula: C17H22N2O6
• Molecular Weight: 350.4
• DSSTox Substance ID: DTXSID20428020
• Wikidata: Q82240786
• Mol file: 1217814-62-4.mol

Synonyms:1217814-62-4;(S)-1-(tert-Butoxycarbonyl)-2-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid;BOC-(S)-ALPHA-(2-NITRO-BENZYL)-PROLINE;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;DTXSID20428020;MFCD07363495;(S)-1-(tert-Butoxycarbonyl)-2-(2-nitrobenzyl)pyrrolidine-2-carboxylicacid;(2S)-1-[(tert-butoxy)carbonyl]-2-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid

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

Chemical Property:

• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 350.14778643
• Heavy Atom Count: 25
• Complexity: 538

Purity/Quality:

98%min ^*data from raw suppliers

Boc-(s)-α-(2-nitro-benzyl)-proline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC1(CC2=CC=CC=C2[N+](=O)[O-])C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC=CC=C2[N+](=O)[O-])C(=O)O