methyl rel-(1R,2R,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride - ≥97% , CAS No.200006-66-2

CAS: 200006-66-2 Cat. No.: M631361

GRADE & PURITY ≥97%

Synonyms

200006-66-2 | methyl (1R,2R,5S)-rel-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride | (1R,2R,5S)-rel-3-Azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride | (1R,2R,5S)-rel-Methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride | methyl (1R,2R,

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

200006-66-2 | methyl (1R, 2R, 5S)-rel-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride | (1R, 2R, 5S)-rel-3-Azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride | (1R, 2R, 5S)-rel-Methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride | methyl (1R, 2R,

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1C2CC2CN1.Cl
• IUPAC Name: methyl (1R,2R,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
• InChIKey: WYQMWVWFYJQAIB-RWOHWRPJSA-N
• INCHI: 1S/C7H11NO2.ClH/c1-10-7(9)6-5-2-4(5)3-8-6;/h4-6,8H,2-3H2,1H3;1H/t4-,5-,6-;/m1./s1
• Isomeric SMILES: COC(=O)[C@H]1[C@@H]2C[C@@H]2CN1.Cl
• Reaxy-Rn: 28113279
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28113279&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Sugar acids and derivatives
          • Level6 Sugar amino acids and derivatives
            • Level7 Bicyclic amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Sugar acids and derivatives - Sugar amino acids and derivatives
• Direct Parent: Bicyclic amino acids and derivatives
• Alternative Parents: Alpha amino acid esters Piperidinecarboxylic acids Pyrrolidine carboxylic acids Methyl esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Bicyclic amino acid - Alpha-amino acid ester - Alpha-amino acid or derivatives - Piperidinecarboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Piperidine - Methyl ester - Pyrrolidine - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Hydrochloride - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as bicyclic amino acids and derivatives. These are sugar amino acids in which the amino acid is attached to or partly borne within a bicyclic ring system.
• 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