(3S,4R)-4-phenylpyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: (3S,4R)-4-phenylpyrrolidine-3-carboxylic acid
• CAS No.: 1049984-33-9
• Molecular Formula: C11H13 N O2
• Molecular Weight: 191.22600
• DSSTox Substance ID: DTXSID40376074
• Mol file: 1049984-33-9.mol

Synonyms:(3S,4R)-4-phenylpyrrolidine-3-carboxylic acid;1049984-33-9;DL-trans-4-Phenylpyrrolidine-3-carboxylic acid;652971-46-5;SCHEMBL1817862;DTXSID40376074;AKOS015840447;AC-22397;BS-25555;(3S,4R)-4-Phenylpyrrolidine-3-carboxylicacid;EN300-198617;EN300-267154;rac-(3R,4S)-4-phenylpyrrolidine-3-carboxylic acid

Chemical Property of (3S,4R)-4-phenylpyrrolidine-3-carboxylic acid

Chemical Property:

• PSA: 49.33000
• LogP: 1.40300
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

97% ^*data from raw suppliers

(3S,4R)-4-Phenylpyrrolidine-3-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(CN1)C(=O)O)C2=CC=CC=C2
• Isomeric SMILES: C1[C@H]([C@@H](CN1)C(=O)O)C2=CC=CC=C2