O2-tert-butyl O3-ethyl (1R,3S,5R)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate - ≥97% , CAS No.214193-10-9

CAS: 214193-10-9 Cat. No.: O631778 Molecular Weight: 255.31

GRADE & PURITY ≥97%

Synonyms

214193-10-9 | N-Boc-L-trans-4,5-methanoprolineEthylEster | SCHEMBL12216520 | (1R,3S,5R)-2-tert-butyl 3-ethyl 2-aza-bicyclo[3.1.0]hexane-2,3-dicarboxylate | F89213 | 4beta,5beta-Methanopyrrolidine-1,2alpha-dicarboxylic acid 1-tert-butyl 2-ethyl ester

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

214193-10-9 | N-Boc-L-trans-4, 5-methanoprolineEthylEster | SCHEMBL12216520 | (1R, 3S, 5R)-2-tert-butyl 3-ethyl 2-aza-bicyclo[3.1.0]hexane-2, 3-dicarboxylate | F89213 | 4beta, 5beta-Methanopyrrolidine-1, 2alpha-dicarboxylic acid 1-tert-butyl 2-ethyl ester

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1CC2CC2N1C(=O)OC(C)(C)C
• IUPAC Name: 2-O-tert-butyl 3-O-ethyl (1R,3S,5R)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate
• InChIKey: QHWOZJGWXZDMDZ-BBBLOLIVSA-N
• INCHI: 1S/C13H21NO4/c1-5-17-11(15)10-7-8-6-9(8)14(10)12(16)18-13(2,3)4/h8-10H,5-7H2,1-4H3/t8-,9-,10+/m1/s1
• Isomeric SMILES: CCOC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C
• Molecular Weight: 255.31
• Reaxy-Rn: 35702214
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35702214&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 Alpha amino acid esters

• 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: Alpha amino acid esters
• Alternative Parents: Piperidinecarboxylic acids Pyrrolidine carboxylic acids Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Piperidinecarboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Piperidine - Carbamic acid ester - Pyrrolidine - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Description: 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