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CAS 1174020-30-4

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1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate

Description:
1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate, identified by its CAS number 1174020-30-4, is a chemical compound characterized by its specific stereochemistry and functional groups. This substance features a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle, and includes an amino group and a fluoro substituent, contributing to its biological activity and potential pharmacological properties. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, which can influence its solubility and permeability in biological systems. The stereochemistry at the 3 and 4 positions of the pyrrolidine ring is crucial for its interaction with biological targets, potentially affecting its efficacy and safety profile. Such compounds are often investigated for their roles in medicinal chemistry, particularly in the development of pharmaceuticals targeting various diseases. Overall, the unique structural features of this compound suggest it may have significant implications in drug design and development.
Formula:C9H17FN2O2
InChI:InChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5,11H2,1-3H3/t6-,7+/m1/s1
InChI key:InChIKey=DXQXHFOCKKIWJL-RQJHMYQMSA-N
SMILES:C(OC(C)(C)C)(=O)N1C[C@@H](F)[C@@H](N)C1
Synonyms:
  • 1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate
  • 1-Pyrrolidinecarboxylic acid, 3-amino-4-fluoro-, 1,1-dimethylethyl ester, (3S,4R)-
  • tert-Butyl (3R,4S)-3-amino-4-fluoro-pyrrolidine-1-carboxylate
  • (3S,4R)-3-Amino-4-fluoropyrrolidine-1-carboxylic acid tert-butyl ester
  • tert-Butyl (3S,4R)-3-amino-4-fluoropyrrolidine-1-carboxylate
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