methyl (2S)-2-amino-3-(tert-butoxycarbonylamino)-3-methyl-butanoate - ≥97% , CAS No.1093192-07-4

CAS: 1093192-07-4 Cat. No.: M635438 Número EC: 881-750-3 PubChem CID: 45382265

GRADE & PURITY ≥97%

Synonyms

SCHEMBL155157 | A5U | (S)-methyl 2-amino-3-(tert-butoxycarbonylamino)-3-methylbutanoate | methyl (S)-2-amino-3-((tert-butoxycarbonyl)amino)-3-methylbutanoate | (S)-Methyl 2-Amino-3-(Boc-amino)-3-methylbutanoate | AKOS022618007 | UTWVEOUYCGZORL-SSDOTTSWSA-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL155157 | A5U | (S)-methyl 2-amino-3-(tert-butoxycarbonylamino)-3-methylbutanoate | methyl (S)-2-amino-3-((tert-butoxycarbonyl)amino)-3-methylbutanoate | (S)-Methyl 2-Amino-3-(Boc-amino)-3-methylbutanoate | AKOS022618007 | UTWVEOUYCGZORL-SSDOTTSWSA-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NC(C)(C)C(C(=O)OC)N
• IUPAC Name: methyl (2S)-2-amino-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
• InChIKey: UTWVEOUYCGZORL-SSDOTTSWSA-N
• INCHI: 1S/C11H22N2O4/c1-10(2,3)17-9(15)13-11(4,5)7(12)8(14)16-6/h7H,12H2,1-6H3,(H,13,15)/t7-/m1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)NC(C)(C)[C@@H](C(=O)OC)N
• CAS alternativo: 1093192-07-4
• PubChem CID: 45382265

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Valine and derivatives Fatty acid esters Methyl esters Carbamate esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Valine or derivatives - Fatty acid ester - Fatty acyl - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Propiedades químicas y físicas

• Peso molecular: 246.300 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 246.158 Da
• Monoisotopic Mass: 246.158 Da
• Topological Polar Surface Area: 90.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 294.000
• 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