(3R)-3-(3-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid

Base Information

• Chemical Name: (3R)-3-(3-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid
• CAS No.: 517905-91-8
• Molecular Formula: C25H20N2O4
• Molecular Weight: 412.44
• DSSTox Substance ID: DTXSID30375879
• Wikidata: Q82164527
• Mol file: 517905-91-8.mol

Synonyms:517905-91-8;Fmoc-(R)-3-Amino-3-(3-cyano-phenyl)-propionic acid;(3R)-3-(3-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid;(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-cyanophenyl)propanoic acid;AC1MC5MS;DTXSID30375879;(R)-Fmoc-|A-Phe(3-CN)-OH;MFCD03428043;PS-12201;CS-0439426;fmoc-(r)-3-amino-3-(3-cyanophenyl)propanoic acid;Fmoc-(R)-3-Amino-3-(3-cyanophenyl)propionic acid;(3R)-3-(3-cyanophenyl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

Chemical Property of (3R)-3-(3-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid

Chemical Property:

• PSA: 99.42000
• LogP: 5.00368
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 412.14230712
• Heavy Atom Count: 31
• Complexity: 679

Purity/Quality:

98%Min ^*data from raw suppliers

Fmoc-(R)-3-amino-3-(3-cyanophenyl)propionicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CC=CC(=C4)C#N
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC(=O)O)C4=CC=CC(=C4)C#N