(R)-2-Amino-N-benzyl-3-methoxypropanamide - ≥95% , CAS No.196601-69-1

CAS: 196601-69-1 Cat. No.: R587945 Molecular Weight: 208.26 EC Number: 606-353-2 PubChem CID: 10104501

GRADE & PURITY ≥95%

Synonyms

DTXSID40435655 | AKOS015888804 | (R)-2-Amino-N-benzyl-3-methoxypropionamide | STK891526 | WHA60169 | LACOSAMIDE IMPURITY D [EP IMPURITY] | PS-11266 | Descarbonyl Lacosamide | WPLANNRKFDHEKD-SNVBAGLBSA-N | CHEBI:169908 | J-012713 | Desacetyl lacosamide | A

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DTXSID40435655 | AKOS015888804 | (R)-2-Amino-N-benzyl-3-methoxypropionamide | STK891526 | WHA60169 | LACOSAMIDE IMPURITY D [EP IMPURITY] | PS-11266 | Descarbonyl Lacosamide | WPLANNRKFDHEKD-SNVBAGLBSA-N | CHEBI:169908 | J-012713 | Desacetyl lacosamide | A

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504765250
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765250
• Canonical Smiles: COCC(C(=O)NCC1=CC=CC=C1)N
• IUPAC Name: (2R)-2-amino-N-benzyl-3-methoxypropanamide
• InChIKey: WPLANNRKFDHEKD-SNVBAGLBSA-N
• INCHI: 1S/C11H16N2O2/c1-15-8-10(12)11(14)13-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14)/t10-/m1/s1
• Isomeric SMILES: COC[C@H](C(=O)NCC1=CC=CC=C1)N
• PubChem CID: 10104501
• Molecular Weight: 208.26

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 amides

• 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 amides
• Alternative Parents: Benzene and substituted derivatives Secondary carboxylic acid amides Dialkyl ethers Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Dialkyl ether - Ether - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 208.260 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 208.121 Da
• Monoisotopic Mass: 208.121 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 191.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 1