(2S,3S)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylic acid - ≥97% , CAS No.1620842-86-5

CAS: 1620842-86-5 Cat. No.: M629874 Peso molecular: 215.25 PubChem CID: 122462290

GRADE & PURITY ≥97%

Synonyms

1620842-86-5 | (2S,3S)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylic acid | (2S,3S)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylicacid | (2S,3S)-1-(tert-Butoxycarbonyl)-3-methylazetidine-2-carboxylic acid | (2S,3S)-3-methyl-1-[(2-meth

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1620842-86-5 | (2S, 3S)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylic acid | (2S, 3S)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylicacid | (2S, 3S)-1-(tert-Butoxycarbonyl)-3-methylazetidine-2-carboxylic acid | (2S, 3S)-3-methyl-1-[(2-meth

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1CN(C1C(=O)O)C(=O)OC(C)(C)C
• IUPAC Name: (2S,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
• InChIKey: CWCHGLNUHDOFHF-BQBZGAKWSA-N
• INCHI: 1S/C10H17NO4/c1-6-5-11(7(6)8(12)13)9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,13)/t6-,7-/m0/s1
• PubChem CID: 122462290
• Peso molecular: 215.25

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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Methyl-branched fatty acids Heterocyclic fatty acids Azetidinecarboxylic acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Methyl-branched fatty acid - Heterocyclic fatty acid - Branched fatty acid - Azetidinecarboxylic acid - Fatty acyl - Fatty acid - Carbamic acid ester - Carbonic acid derivative - Azetidine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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: 215.250 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 215.116 Da
• Monoisotopic Mass: 215.116 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 282.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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