3-Hexylserine , CAS No.50730-85-3

CAS: 50730-85-3 Cat. No.: H1292921 PubChem CID: 5305380

Storage

Room temperature

Shipped In

Normal

Specifications

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Kanonisches Lächeln

CCCCCCC(C(C(=O)O)N)O

IUPAC Name

2-amino-3-hydroxynonanoic acid

InChIKey

ICWOFXKZEXYLQJ-UHFFFAOYSA-N

INCHI

1S/C9H19NO3/c1-2-3-4-5-6-7(11)8(10)9(12)13/h7-8,11H,2-6,10H2,1H3,(H,12,13)

Isomere SMILES

CCCCCCC(C(C(=O)O)N)O

PubChem CID

5305380

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 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
• Direct Parent: Alpha amino acids
• Alternative Parents: Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Methyl-branched fatty acids Hydroxy fatty acids Beta hydroxy acids and derivatives Amino fatty acids Secondary alcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Amino fatty acid - Beta-hydroxy acid - Branched fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Hydroxy acid - Amino acid - Secondary alcohol - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Organonitrogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Alcohol - Organooxygen compound - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 189.250 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 189.136 Da
• Monoisotopic Mass: 189.136 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1