N-Acetyl-D-alanine - ≥98% , CAS No.19436-52-3

CAS: 19436-52-3 Cat. No.: A109205 Molecular Weight: 131.13 EC Number: 243-066-8

GRADE & PURITY ≥98%

Synonyms

A813726 | EN300-862625 | N-alpha-Acetyl-D-alanine (Ac-D-Ala-OH) | (R)-2-Acetamidopropanoic acid | (R)-2-acetamido-propanoic acid | Ac-D-Ala-OH | DS-15979 | HY-W012713 | KBio2_005116 | FD21057 | N-Acetyl D-alanine | NSC-203819 | D-Alanine,N-acetyl- | J-012

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

A813726 | EN300-862625 | N-alpha-Acetyl-D-alanine (Ac-D-Ala-OH) | (R)-2-Acetamidopropanoic acid | (R)-2-acetamido-propanoic acid | Ac-D-Ala-OH | DS-15979 | HY-W012713 | KBio2_005116 | FD21057 | N-Acetyl D-alanine | NSC-203819 | D-Alanine, N-acetyl- | J-012

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

N-Acetyl-D-alanine may be used with other D-aminoacylated amino acids as a substrate for the identification, differentiation and characterization of D-aminoacylase(s)/amidohydrolase(s). N-acetyl-D-alanine may be used to study aglycon pocket specific bindi

Storage

Store at -20°C, Argon charged

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: 488187812
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187812
• Canonical Smiles: CC(C(=O)O)NC(=O)C
• IUPAC Name: (2R)-2-acetamidopropanoic acid
• InChIKey: KTHDTJVBEPMMGL-GSVOUGTGSA-N
• INCHI: 1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m1/s1
• Isomeric SMILES: C[C@H](C(=O)O)NC(=O)C
• WGK Germany: 3
• Molecular Weight: 131.13
• Reaxy-Rn: 774333
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774333&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 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-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 - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Alanine and derivatives Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-alpha-amino acid - Alanine or derivatives - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen 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

Associated Targets(Human)

PAM Tchem Peptidyl-glycine alpha-amidating monooxygenase (90 Activities)

Discover Target: PAM

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive;heat sensitive
• Melt Point(°C): 128 °C
• Molecular Weight: 131.130 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 131.058 Da
• Monoisotopic Mass: 131.058 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 132.000
• 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