methyl (2S)-2-(benzyloxycarbonylamino)-2-(oxetan-3-yl)acetate - ≥97% , CAS No.1213783-62-0

CAS: 1213783-62-0 Cat. No.: M627450 Molecular Weight: 279.29 PubChem CID: 44818057

GRADE & PURITY ≥97%

Synonyms

methyl (2S)-2-(benzyloxycarbonylamino)-2-(oxetan-3-yl)acetate | 1213783-62-0 | methyl (2S)-2-(oxetan-3-yl)-2-(phenylmethoxycarbonylamino)acetate | MFCD32173248 | BS-43753 | P20684 | Methyl (2S)-2-(Cbz-amino)-2-(oxetan-3-yl)acetate

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

methyl (2S)-2-(benzyloxycarbonylamino)-2-(oxetan-3-yl)acetate | 1213783-62-0 | methyl (2S)-2-(oxetan-3-yl)-2-(phenylmethoxycarbonylamino)acetate | MFCD32173248 | BS-43753 | P20684 | Methyl (2S)-2-(Cbz-amino)-2-(oxetan-3-yl)acetate

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C(C1COC1)NC(=O)OCC2=CC=CC=C2
• IUPAC Name: methyl (2S)-2-(oxetan-3-yl)-2-(phenylmethoxycarbonylamino)acetate
• InChIKey: CPWNUOJLLPXDNI-LBPRGKRZSA-N
• INCHI: 1S/C14H17NO5/c1-18-13(16)12(11-8-19-9-11)15-14(17)20-7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,15,17)/t12-/m0/s1
• Isomeric SMILES: COC(=O)[C@H](C1COC1)NC(=O)OCC2=CC=CC=C2
• PubChem CID: 44818057
• Molecular Weight: 279.29

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: Benzyloxycarbonyls Methyl esters Carbamate esters Oxetanes Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Oxetane - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Aromatic 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