L-Glutamic acid 5-tert-butyl ester - ≥98% , CAS No.2419-56-9

CAS: 2419-56-9 Cat. No.: S135595 Molecular Weight: 203.24 Beilstein Registry Number: 2049030 EC Number: 607-337-8

GRADE & PURITY ≥98%

Synonyms

(2S)-2-amino-5-(tert-butoxy)-5-oxopentanoic acid | 5-tert-Butyl L-Glutamate | MFCD00038580 | H-Glu(OtBu)-OH | L-Glutamic acid 5-tert-butyl ester | (S)-2-Amino-5-(tert-butoxy)-5-oxopentanoic acid | 5-(1,1-dimethylethyl) ester-L-Glutamic acid | H-Glu(O-t-Bu

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(2S)-2-amino-5-(tert-butoxy)-5-oxopentanoic acid | 5-tert-Butyl L-Glutamate | MFCD00038580 | H-Glu(OtBu)-OH | L-Glutamic acid 5-tert-butyl ester | (S)-2-Amino-5-(tert-butoxy)-5-oxopentanoic acid | 5-(1, 1-dimethylethyl) ester-L-Glutamic acid | H-Glu(O-t-Bu

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 488196028
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196028
• Canonical Smiles: CC(C)(C)OC(=O)CCC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
• InChIKey: OIOAKXPMBIZAHL-LURJTMIESA-N
• INCHI: 1S/C9H17NO4/c1-9(2,3)14-7(11)5-4-6(10)8(12)13/h6H,4-5,10H2,1-3H3,(H,12,13)/t6-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)CC[C@@H](C(=O)O)N
• WGK Germany: 3
• Molecular Weight: 203.24
• Beilstein: 2049030
• Reaxy-Rn: 2049030
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049030&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: L-alpha-amino acids Fatty acid esters Branched fatty acids Dicarboxylic acids and derivatives Quaternary ammonium salts Carboxylic acid salts Carboxylic acid esters Carboxylic acids Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glutamic acid or derivatives - Alpha-amino acid - L-alpha-amino acid - Branched fatty acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid salt - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic salt - Organic zwitterion - 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: Sparingly soluble in water; practically insoluble in ethanol or ether.
• Sensitivity: Moisture Sensitive；Heat sensitive
• Specific Rotation[α]: 10° (C=1,H2O)
• Melt Point(°C): 182°C(lit.)
• Molecular Weight: 203.240 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 203.116 Da
• Monoisotopic Mass: 203.116 Da
• Topological Polar Surface Area: 89.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 219.000
• 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

References

1. Donghui Zhang, Shiqi Liu, Zhihao Cai, Weizhe Luo, Guojian Liu, Runhui Liu.  (2023)  Facile synthesis of N-phenoxycarbonyl amino acids by a two-phase reaction for direct polymerization.  Polymer Chemistry,  15  (2): (97-105).  [PMID:] [10.1039/D3PY01031G]

2. Bing Li, Yueming Wu, Wenjing Zhang, Si Zhang, Ning Shao, Weiwei Zhang, Lixin Zhang, Jian Fei, Yidong Dai, Runhui Liu.  (2019)  Efficient synthesis of amino acid polymers for protein stabilization.  Biomaterials Science,  7  (9): (3675-3682).  [PMID:31322153] [10.1039/C9BM00484J]