methyl (2S)-2-(tert-butoxycarbonylamino)-2-(oxetan-3-yl)acetate - ≥97% , CAS No.2089671-19-0

CAS: 2089671-19-0 Cat. No.: M631513 Molecular Weight: 245.27

GRADE & PURITY ≥97%

Synonyms

2089671-19-0 | methyl (2S)-2-(tert-butoxycarbonylamino)-2-(oxetan-3-yl)acetate | METHYL (S)-2-((TERT-BUTOXYCARBONYL)AMINO)-2-(OXETAN-3-YL)ACETATE | MFCD30829075 | (S)-Methyl 2-((tert-butoxycarbonyl)amino)-2-(oxetan-3-yl)acetate | (S)-Methyl2-((tert-butoxy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2089671-19-0 | methyl (2S)-2-(tert-butoxycarbonylamino)-2-(oxetan-3-yl)acetate | METHYL (S)-2-((TERT-BUTOXYCARBONYL)AMINO)-2-(OXETAN-3-YL)ACETATE | MFCD30829075 | (S)-Methyl 2-((tert-butoxycarbonyl)amino)-2-(oxetan-3-yl)acetate | (S)-Methyl2-((tert-butoxy

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)NC(C1COC1)C(=O)OC
• IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetate
• InChIKey: AEEKGWYJXBGAMG-QMMMGPOBSA-N
• INCHI: 1S/C11H19NO5/c1-11(2,3)17-10(14)12-8(9(13)15-4)7-5-16-6-7/h7-8H,5-6H2,1-4H3,(H,12,14)/t8-/m0/s1
• Molecular Weight: 245.27
• Reaxy-Rn: 54529181
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=54529181&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: Methyl esters Carbamate esters Oxetanes Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Oxetane - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteromonocyclic 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