methyl (2S,4R)-4-benzyloxypyrrolidine-2-carboxylate;hydrochloride - ≥97% , CAS No.66831-17-2

CAS: 66831-17-2 Cat. No.: M636014 Peso molecular: 271.74 PubChem CID: 53487120

GRADE & PURITY ≥97%

Synonyms

MFCD00798674 | H-Hyp(Bzl)-OMe.HCl | L-Proline,4-(phenylmethoxy)-,methyl ester,hydrochloride(1:1),(4R)- | SCHEMBL3053757 | AKOS025312470 | L-Proline, 4-(phenylmethoxy)-, methyl ester, hydrochloride (1:1), (4R)- | AS-38075 | O-BENZYL-L-TRANS-4-HYDROXYPROLIN

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

MFCD00798674 | H-Hyp(Bzl)-OMe.HCl | L-Proline, 4-(phenylmethoxy)-, methyl ester, hydrochloride(1:1), (4R)- | SCHEMBL3053757 | AKOS025312470 | L-Proline, 4-(phenylmethoxy)-, methyl ester, hydrochloride (1:1), (4R)- | AS-38075 | O-BENZYL-L-TRANS-4-HYDROXYPROLIN

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C1CC(CN1)OCC2=CC=CC=C2.Cl
• IUPAC Name: methyl (2S,4R)-4-phenylmethoxypyrrolidine-2-carboxylate;hydrochloride
• InChIKey: DTGIEBXEDOSJQH-LYCTWNKOSA-N
• INCHI: 1S/C13H17NO3.ClH/c1-16-13(15)12-7-11(8-14-12)17-9-10-5-3-2-4-6-10;/h2-6,11-12,14H,7-9H2,1H3;1H/t11-,12+;/m1./s1
• Isómeros SMILES: COC(=O)[C@@H]1C[C@H](CN1)OCC2=CC=CC=C2.Cl
• CAS alternativo: 66831-17-2
• PubChem CID: 53487120
• Peso molecular: 271.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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: Proline and derivatives Benzylethers Pyrrolidine carboxylic acids Quaternary ammonium salts Methyl esters Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Proline or derivatives - Benzylether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Quaternary ammonium salt - Methyl ester - Carboxylic acid ester - Dialkyl ether - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic chloride salt - Carbonyl group - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 271.740 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 271.098 Da
• Monoisotopic Mass: 271.098 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 251.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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