L-tert-Leucine - ≥99% , CAS No.20859-02-3

CAS: 20859-02-3 Cat. No.: L102884 Molecular Weight: 131.17 Beilstein Registry Number: 1721824 EC Number: 606-659-6

GRADE & PURITY ≥99%

Synonyms

H-Tle-OH | 2(S)-amino-3,3-dimethyl-butyric acid | (s)-tert-butylglycine | AKOS015841183 | L-tert-Leucine, 99% | HY-59140 | (S)-TERT-LEUCINE | 3-Methyl-l-valine | Bromure de clidinium (INN-French) | DTXSID001017204 | 3-methyl-l-valin | AM20090175 | NSC-203

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

H-Tle-OH | 2(S)-amino-3, 3-dimethyl-butyric acid | (s)-tert-butylglycine | AKOS015841183 | L-tert-Leucine, 99% | HY-59140 | (S)-TERT-LEUCINE | 3-Methyl-l-valine | Bromure de clidinium (INN-French) | DTXSID001017204 | 3-methyl-l-valin | AM20090175 | NSC-203

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488188370
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188370
• Canonical Smiles: CC(C)(C)C(C(=O)O)N
• IUPAC Name: (2S)-2-amino-3,3-dimethylbutanoic acid
• InChIKey: NPDBDJFLKKQMCM-SCSAIBSYSA-N
• INCHI: 1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1
• Isomeric SMILES: CC(C)(C)[C@@H](C(=O)O)N
• WGK Germany: 3
• Molecular Weight: 131.17
• Beilstein: 1721824
• Reaxy-Rn: 1721823
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721823&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 Valine 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 - Alpha amino acids and derivatives
• Direct Parent: Valine and derivatives
• Alternative Parents: L-alpha-amino acids Methyl-branched 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: Valine or derivatives - Alpha-amino acid - L-alpha-amino acid - Branched fatty acid - Methyl-branched fatty acid - Fatty acid - Fatty acyl - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Chemical and Physical Properties

• Solubility: Soluble in water and hydrchloric acid.
• Specific Rotation[α]: -9 ° (C=3, H2O)
• Melt Point(°C): ≥300°C
• Molecular Weight: 131.170 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• 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: 115.000
• 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