Ac-Ala-OH - 10mM in DMSO , CAS No.97-69-8

CAS: 97-69-8 Cat. No.: A427198 Molecular Weight: 131.13 EC Number: 202-602-0

GRADE & PURITY 10mM in DMSO

Synonyms

N-ACETYLALANINE | s3094 | 4/'-Chloro-2,2/':6/',2/'/'-terpyridine | EINECS 202-602-0 | n-acetyl alanine | N-Acetyl-L-alanine | N-Acetylsuperoxide dismutase (human clone pS 61-10 copper-zinc subunit protein moiety reduced) | AKOS010366966 | DTXSID50861704 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

N-ACETYLALANINE | s3094 | 4/'-Chloro-2, 2/':6/', 2/'/'-terpyridine | EINECS 202-602-0 | n-acetyl alanine | N-Acetyl-L-alanine | N-Acetylsuperoxide dismutase (human clone pS 61-10 copper-zinc subunit protein moiety reduced) | AKOS010366966 | DTXSID50861704 |

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: CC(C(=O)O)NC(=O)C
• IUPAC Name: (2S)-2-acetamidopropanoic acid
• InChIKey: KTHDTJVBEPMMGL-VKHMYHEASA-N
• INCHI: 1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/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
                • Level9 N-acyl-L-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 - N-acyl-alpha amino acids
• Direct Parent: N-acyl-L-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-l-alpha-amino acid - Alanine or derivatives - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen 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-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
• External Descriptors: L-alanine derivative - N-acetyl-L-amino acid

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

• Melt Point(°C): 122-128°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

References

1. Mingyuan Dou, Qing Feng, Jing Yang, Shuai Zou, Kangchun Li, Zhenpeng Li, Maoli Yang, Fuchuan Huang.  (2024)  Evaluation of rheological properties and tribological properties of choline/acetylamino acid ionic liquids at different frequencies.  WEAR,      [PMID:] [10.1016/j.wear.2024.205247]

2. Yuting Li, Xiaotong Li, Jinshun Ye, Zhenzhao Weng, Xiaozhen Liu, Fengyuan Liu, Jingkun Yan, Lin Li.  (2024)  Reactivity of amino acid residues towards 4-methylbenzoquinone: Effect on the site-specificity of quinone-protein reaction.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2024.116217]

3. SunHongzheng , HanLongsen , GuoYueshuai , AnHuiqing , WangBing , ZhangXiangzheng , LiJiashuo , JiangYingtong , WangYue , SunGuangyi , ZhuShuai , TangShoubin , GeJuan , ChenMinjian , GuoXuejiang , WangQiang.  (2024)  The global phosphorylation landscape of mouse oocytes during meiotic maturation.  EMBO JOURNAL,      [PMID:39256562] [10.1038/s44318-024-00222-1]