D-Allylglycine - ≥98% , CAS No.54594-06-8

CAS: 54594-06-8 Cat. No.: D107871 Molecular Weight: 115.13 Beilstein Registry Number: 1721511 EC Number: 880-265-4

GRADE & PURITY ≥98%

Synonyms

(R)-Allylglycine (>98%, >99%ee) (H-D-AllylGly-OH) | H-D-Allylglycine | (+)-Allylglycine | (R)-2-amino-4-pentenoicacid | (2R)-2-amino-4-pentenoic acid | Morpholinopropionitrile | D-Allylglycine | [(tert-Butoxycarbonyl)amino]acetic acid | A inverted exclama

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(R)-Allylglycine (>98%, >99%ee) (H-D-AllylGly-OH) | H-D-Allylglycine | (+)-Allylglycine | (R)-2-amino-4-pentenoicacid | (2R)-2-amino-4-pentenoic acid | Morpholinopropionitrile | D-Allylglycine | [(tert-Butoxycarbonyl)amino]acetic acid | A inverted exclama

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

D-allylglycine is the enantiomer of L-allylglycine, a glutamate decarboxylase (GAD) inhibitor used in GABA research. D-allylglycine may be used as a control supplement versus L-allylglycine in GABA research. D-allylglycine is used in the organic synthesis

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504764426
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764426
• Canonical Smiles: C=CCC(C(=O)O)N
• IUPAC Name: (2R)-2-aminopent-4-enoic acid
• InChIKey: WNNNWFKQCKFSDK-SCSAIBSYSA-N
• INCHI: 1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m1/s1
• Isomeric SMILES: C=CC[C@H](C(=O)O)N
• WGK Germany: 3
• Molecular Weight: 115.13
• Beilstein: 1721511
• Reaxy-Rn: 1721513
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721513&ln=

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 Alpha amino acids
              • Level8 D-alpha-amino acids

• 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 - Alpha amino acids
• Direct Parent: D-alpha-amino acids
• Alternative Parents: Unsaturated fatty acids Quaternary ammonium salts Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: D-alpha-amino acid - Unsaturated fatty acid - Fatty acid - Fatty acyl - Quaternary ammonium salt - Amino acid - Carboxylic acid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic zwitterion - Organic salt - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 115.130 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 115.063 Da
• Monoisotopic Mass: 115.063 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 101.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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