L-Glutamic acid 5-tert-butyl 1-methyl ester hydrochloride - ≥95% , CAS No.6234-01-1

CAS: 6234-01-1 Cat. No.: G100448 Molecular Weight: 253.72 Beilstein Registry Number: 3572140 EC Number: 228-348-0

GRADE & PURITY ≥95%

Synonyms

H-Glu(OtBu)-OMe.HCl | (S)-5-TERT-BUTYL 1-METHYL 2-AMINOPENTANEDIOATE HCL | H-Glu(OtBu)-OMe hydrochloride | AKOS016842891 | CI Fluorescent Brightener 24 | L-Glutamic acid alpha-methyl gamma-t-butyl ester hydrochloride | MFCD00153438 | 5-(tert-Butyl) 1-meth

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

H-Glu(OtBu)-OMe.HCl | (S)-5-TERT-BUTYL 1-METHYL 2-AMINOPENTANEDIOATE HCL | H-Glu(OtBu)-OMe hydrochloride | AKOS016842891 | CI Fluorescent Brightener 24 | L-Glutamic acid alpha-methyl gamma-t-butyl ester hydrochloride | MFCD00153438 | 5-(tert-Butyl) 1-meth

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)CCC(C(=O)OC)N.Cl
• IUPAC Name: 5-O-tert-butyl 1-O-methyl (2S)-2-aminopentanedioate;hydrochloride
• InChIKey: YIFPACFSZQWAQF-FJXQXJEOSA-N
• INCHI: 1S/C10H19NO4.ClH/c1-10(2,3)15-8(12)6-5-7(11)9(13)14-4;/h7H,5-6,11H2,1-4H3;1H/t7-;/m0./s1
• Isomeric SMILES: CC(C)(C)OC(=O)CC[C@@H](C(=O)OC)N.Cl
• WGK Germany: 3
• Molecular Weight: 253.72
• Beilstein: 3572140
• Reaxy-Rn: 7695496
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7695496&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 Glutamic acid 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: Glutamic acid and derivatives
• Alternative Parents: Alpha amino acid esters Fatty acid esters Dicarboxylic acids and derivatives Methyl esters Organic oxides Organic chloride salts Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organic anions
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glutamic acid or derivatives - Alpha-amino acid ester - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Methyl ester - Carboxylic acid ester - Organic nitrogen compound - Amine - Hydrochloride - Organic chloride salt - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic anion - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid 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 Methanol
• Sensitivity: Heat Sensitive
• Specific Rotation[α]: 26 ° (C=1, MeOH)
• Melt Point(°C): 128°C
• Molecular Weight: 253.720 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 253.108 Da
• Monoisotopic Mass: 253.108 Da
• Topological Polar Surface Area: 78.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 232.000
• 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: 2

XLogP3

References

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