3-((2S,4R)-4-Hydroxypyrrolidine-2-carboxamido)benzoic acid

Base Information

• Chemical Name: 3-((2S,4R)-4-Hydroxypyrrolidine-2-carboxamido)benzoic acid
• CAS No.: 770703-11-2
• Molecular Formula: C12H14 N2 O4
• Molecular Weight: 250.25056
• UNII: Q5G62VEG5D
• Mol file: 770703-11-2.mol

Synonyms:770703-11-2;3-((2S,4R)-4-Hydroxypyrrolidine-2-carboxamido)benzoic acid;3-[[[(2S,4R)-4-Hydroxy-2-pyrrolidinyl]carbonyl]amino]benzoic Acid;Q5G62VEG5D;3-{[(4R)-4-Hydroxy-L-prolyl]amino}benzoic acid;Benzoic acid, 3-[[[(2S,4R)-4-hydroxy-2-pyrrolidinyl]carbonyl]amino]-;Benzoic acid,3-[[[(2S,4R)-4-hydroxy-2-pyrrolidinyl]carbonyl]amino]-(9ci)

Chemical Property of 3-((2S,4R)-4-Hydroxypyrrolidine-2-carboxamido)benzoic acid

Chemical Property:

• PSA: 98.66000
• LogP: 0.44790
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 250.09535693
• Heavy Atom Count: 18
• Complexity: 334

Purity/Quality:

≧95%, ^*data from raw suppliers

3-[[[(2S,4R)-4-Hydroxy-2-pyrrolidinyl]carbonyl]amino]benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1C(CNC1C(=O)NC2=CC=CC(=C2)C(=O)O)O
• Isomeric SMILES: C1[C@H](CN[C@@H]1C(=O)NC2=CC=CC(=C2)C(=O)O)O
• Uses: 3-[[[(2S,4R)-4-Hydroxy-2-pyrrolidinyl]carbonyl]amino]benzoic Acid is an impurity of Ertapenem (E635005), an antibacterial and L,D-transpeptidase inactivator.

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