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

Base Information

• Chemical Name: (S)-1-(tert-Butoxycarbonyl)-2-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid
• CAS No.: 1217811-41-0
• Molecular Formula: C18H22N2O4
• Molecular Weight: 330.4
• DSSTox Substance ID: DTXSID60428029
• Wikidata: Q82240799
• Mol file: 1217811-41-0.mol

Synonyms:1217811-41-0;(S)-1-(tert-Butoxycarbonyl)-2-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid;(2S)-2-[(2-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;Boc-(S)-alpha-(2-cyano-benzyl)-proline;starbld0000468;DTXSID60428029;MFCD06796808;(2S)-1-[(tert-butoxy)carbonyl]-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid

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

Chemical Property:

• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 330.15795719
• Heavy Atom Count: 24
• Complexity: 545

Purity/Quality:

95% ^*data from raw suppliers

(S)-1-(tert-Butoxycarbonyl)-2-(2-cyanobenzyl)pyrrolidine-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC1(CC2=CC=CC=C2C#N)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC=CC=C2C#N)C(=O)O

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