(S)-1-(Cyanomethyl)-5-oxopyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: (S)-1-(Cyanomethyl)-5-oxopyrrolidine-2-carboxylic acid
• CAS No.: 682773-99-5
• Molecular Formula: C7H8N2O3
• Molecular Weight: 168.15002
• DSSTox Substance ID: DTXSID50470133
• Wikidata: Q82298123
• Mol file: 682773-99-5.mol

Synonyms:682773-99-5;(S)-1-(Cyanomethyl)-5-oxopyrrolidine-2-carboxylic acid;DTXSID50470133;AG-G-61634

Chemical Property of (S)-1-(Cyanomethyl)-5-oxopyrrolidine-2-carboxylic acid

Chemical Property:

• Boiling Point: 479.8±40.0 °C(Predicted)
• PKA: 3.24±0.20(Predicted)
• PSA: 81.40000
• Density: 1.407±0.06 g/cm3(Predicted)
• LogP: -0.47652
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.05349212
• Heavy Atom Count: 12
• Complexity: 265

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1C(=O)O)CC#N
• Isomeric SMILES: C1CC(=O)N([C@@H]1C(=O)O)CC#N