L-isovaline monohydrate - ≥97% , CAS No.595-40-4

CAS: 595-40-4 Cat. No.: H353441 Molecular Weight: 135.16

GRADE & PURITY ≥97%

Synonyms

AB03946 | BCP30406 | .ALPHA.-METHYL-L-.ALPHA.-AMINOBUTYRIC ACID | (S)-2-amino-2-methylbutanoic acid | SCHEMBL23350 | H-ALPHA-ET-D-ALA-OH | Butanoic acid, 2-amino-2-methyl- | ISOVALINE L-FORM [MI] | 2-Ethylalanine | AB01182 | AS-14393 | DTXSID801016648 | N

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Overview

application

a-Me-Gly(Ethyl)-OH is used in preparation of peptide compound comprising highly sterically hindered amino acid via reaction of electron-withdrawing group-protected N-unsubstituted-α,α-disubstituted amino acid with peptide followed by N-alkylation.

Specifications

Synonyms

AB03946 | BCP30406 | .ALPHA.-METHYL-L-.ALPHA.-AMINOBUTYRIC ACID | (S)-2-amino-2-methylbutanoic acid | SCHEMBL23350 | H-ALPHA-ET-D-ALA-OH | Butanoic acid, 2-amino-2-methyl- | ISOVALINE L-FORM [MI] | 2-Ethylalanine | AB01182 | AS-14393 | DTXSID801016648 | N

Specifications & Purity

≥97%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488195923
• Canonical Smiles: CCC(C)(C(=O)O)N
• IUPAC Name: (2S)-2-amino-2-methylbutanoic acid
• InChIKey: GCHPUFAZSONQIV-YFKPBYRVSA-N
• INCHI: 1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m0/s1
• Isomeric SMILES: CC[C@@](C)(C(=O)O)N
• Molecular Weight: 135.16
• Reaxy-Rn: 773955
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773955&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 Alpha amino acids
              • Level8 D-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 - Alpha amino acids
• Direct Parent: D-alpha-amino acids
• Alternative Parents: Methyl-branched fatty acids Quaternary ammonium salts Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: D-alpha-amino acid - Branched fatty acid - Methyl-branched fatty acid - Fatty acid - Fatty acyl - Quaternary ammonium salt - Amino acid - Carboxylic acid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Primary aliphatic amine - Organic salt - Organic oxide - Carbonyl group - Organic nitrogen compound - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 117.150 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 117.079 Da
• Monoisotopic Mass: 117.079 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• 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