(S)-2-Acetamidohexanoic acid - ≥95% , CAS No.15891-49-3

CAS: 15891-49-3 Cat. No.: A181817 Summenformel: C₈H₁₅NO₃ Molekulargewicht: 173.21

GRADE & PURITY ≥95%

Synonyms

DTXSID70426410 | AM82586 | (S)-2-Acetamidohexanoicacid | Acetyl-L-2-aminohexanoic acid | JDMCEGLQFSOMQH-ZETCQYMHSA-N | (2S)-2-acetamidohexanoic acid | J-300347 | Acetyl-L-norleucine | Ac-Nle-Oh | N-Acetylnorleucine | DS-3405 | N-ACETYLNORLEUCINE, L- | AKO

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID70426410 | AM82586 | (S)-2-Acetamidohexanoicacid | Acetyl-L-2-aminohexanoic acid | JDMCEGLQFSOMQH-ZETCQYMHSA-N | (2S)-2-acetamidohexanoic acid | J-300347 | Acetyl-L-norleucine | Ac-Nle-Oh | N-Acetylnorleucine | DS-3405 | N-ACETYLNORLEUCINE, L- | AKO

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CCCCC(C(=O)O)NC(=O)C

IUPAC Name

(2S)-2-acetamidohexanoic acid

InChIKey

JDMCEGLQFSOMQH-ZETCQYMHSA-N

INCHI

1S/C8H15NO3/c1-3-4-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/t7-/m0/s1

Isomere SMILES

CCCC[C@@H](C(=O)O)NC(=O)C

Molekulargewicht

173.21

Reaxy-Rn

1724854

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1724854&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 N-acyl-alpha amino acids and derivatives
              • Ebene8 N-acyl-alpha amino acids
                • Ebene9 N-acyl-L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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: Medium-chain fatty acids Amino fatty acids Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-l-alpha-amino acid - Medium-chain fatty acid - Amino fatty acid - Fatty acyl - Fatty acid - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
• Beschreibung: 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: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 173.210 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 173.105 Da
• Monoisotopic Mass: 173.105 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 168.000
• 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