(1R,4R)-5-tert-butoxycarbonyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid - ≥97% , CAS No.2408936-49-0

CAS: 2408936-49-0 Cat. No.: T633003 Molecular Weight: 243.26 EC Number: 949-391-8 PubChem CID: 97112099

GRADE & PURITY ≥97%

Synonyms

2408936-49-0 | (1R,4R)-5-(tert-Butoxycarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid | (1R,4R)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid | W14570 | EN300-6498224 | (1R,4R)-5-[(tert-butoxy)carbonyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2408936-49-0 | (1R, 4R)-5-(tert-Butoxycarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid | (1R, 4R)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid | W14570 | EN300-6498224 | (1R, 4R)-5-[(tert-butoxy)carbonyl

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CC2(CC1CO2)C(=O)O
• IUPAC Name: (1R,4R)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid
• InChIKey: GJLSXXFQRXNEFA-RDDDGLTNSA-N
• INCHI: 1S/C11H17NO5/c1-10(2,3)17-9(15)12-6-11(8(13)14)4-7(12)5-16-11/h7H,4-6H2,1-3H3,(H,13,14)/t7-,11-/m1/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N1C[C@]2(C[C@@H]1CO2)C(=O)O
• PubChem CID: 97112099
• Molecular Weight: 243.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines
        • Level5 Morpholine carboxylic acids and derivatives
          • Level6 Morpholine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Morpholine carboxylic acids and derivatives
• Direct Parent: Morpholine carboxylic acids
• Alternative Parents: Pyrrolidine carboxylic acids Oxolanes Carbamate esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Morpholine-4-carboxylic acid - Morpholine-2-carboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Oxolane - Pyrrolidine - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups.
• 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