DL-β-Leucine - 10mM in Water , CAS No.5699-54-7

CAS: 5699-54-7 Cat. No.: D424812 Molecular Weight: 131.17 Beilstein Registry Number: 1747371 EC Number: 674-810-3

GRADE & PURITY 10mM in Water

Synonyms

F0913-5477 | RP-13057 | C-1739 | racemic 3-amino-4-methylpentanoic acid | W-107516 | AS-59830 | SY064256 | W-107314 | 7T-0026 | DL-beta-Leucine | EN300-120454 | Pentanoic acid, 3-amino-4-methyl- | DL-Homovaline | FT-0698388 | Oprea1_308963 | s6142 | DL-Ho

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

F0913-5477 | RP-13057 | C-1739 | racemic 3-amino-4-methylpentanoic acid | W-107516 | AS-59830 | SY064256 | W-107314 | 7T-0026 | DL-beta-Leucine | EN300-120454 | Pentanoic acid, 3-amino-4-methyl- | DL-Homovaline | FT-0698388 | Oprea1_308963 | s6142 | DL-Ho

Specifications & Purity

10mM in Water

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)C(CC(=O)O)N
• IUPAC Name: 3-amino-4-methylpentanoic acid
• InChIKey: GLUJNGJDHCTUJY-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
• Isomeric SMILES: CC(C)C(CC(=O)O)N
• WGK Germany: 3
• Molecular Weight: 131.17
• Beilstein: 1747371
• Reaxy-Rn: 1721067
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721067&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 Beta amino acids and derivatives

• 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
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Methyl-branched fatty acids Amino fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Amino fatty acid - Branched fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• External Descriptors: beta-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

Chemical and Physical Properties

• Molecular Weight: 131.170 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 131.095 Da
• Monoisotopic Mass: 131.095 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1