(2S)-2-(tert-Butoxycarbonylamino)-4-cyanobutanoic acid

Base Information

• Chemical Name: (2S)-2-(tert-Butoxycarbonylamino)-4-cyanobutanoic acid
• CAS No.: 45172-42-7
• Molecular Formula: C10H16N2O4
• Molecular Weight: 228.24500
• DSSTox Substance ID: DTXSID10451322
• Nikkaji Number: J2.015.659G
• Wikidata: Q82271290
• Mol file: 45172-42-7.mol

Synonyms:45172-42-7;(2S)-4-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid;(2S)-2-(tert-Butoxycarbonylamino)-4-cyanobutanoic acid;SCHEMBL13318958;DTXSID10451322

Chemical Property of (2S)-2-(tert-Butoxycarbonylamino)-4-cyanobutanoic acid

Chemical Property:

• PSA: 102.91000
• LogP: 1.47248
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 228.11100700
• Heavy Atom Count: 16
• Complexity: 311

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CCC#N)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CCC#N)C(=O)O