trans-4-Fluoro-L-proline - ≥97% , CAS No.2507-61-1

CAS: 2507-61-1 Cat. No.: T162045 Molecular Weight: 133.12 EC Number: 640-646-6 PubChem CID: 11902999

GRADE & PURITY ≥97%

Synonyms

AKOS016341066 | AC-14453 | (2S,4R)-4-Fluoro-pyrrolidine-2-carboxylic acid;(2S,4R)-4-Fluoropyrrolidine-2-carboxylic acid | AMY13640 | HY-W044620 | (4R)-4-fluoro-L-proline | trans-4-Fluoro-l-proline | W-206921 | Proline,4-fluoro-,trans- | TRANS-4-FLUOROPROL

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AKOS016341066 | AC-14453 | (2S, 4R)-4-Fluoro-pyrrolidine-2-carboxylic acid;(2S, 4R)-4-Fluoropyrrolidine-2-carboxylic acid | AMY13640 | HY-W044620 | (4R)-4-fluoro-L-proline | trans-4-Fluoro-l-proline | W-206921 | Proline, 4-fluoro-, trans- | TRANS-4-FLUOROPROL

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488197791
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197791
• Canonical Smiles: C1C(CNC1C(=O)O)F
• IUPAC Name: (2S,4R)-4-fluoropyrrolidine-2-carboxylic acid
• InChIKey: ZIWHMENIDGOELV-DMTCNVIQSA-N
• INCHI: 1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
• Isomeric SMILES: C1[C@H](CN[C@@H]1C(=O)O)F
• PubChem CID: 11902999
• Molecular Weight: 133.12
• Reaxy-Rn: 471935

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: L-alpha-amino acids Pyrrolidine carboxylic acids Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid - L-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Amino acid - Carboxylic acid - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

EGLN1 Tclin Egl nine homolog 1 (1702 Activities)

Discover Target: EGLN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: -78° (C=1,H2O)
• Melt Point(°C): 264°C(lit.)
• Molecular Weight: 133.120 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 133.054 Da
• Monoisotopic Mass: 133.054 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 128.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1