(S)-6-Oxo-2-piperidinecarboxylic acid - ≥95% , CAS No.34622-39-4

CAS: 34622-39-4 Cat. No.: O121564 Peso molecular: 143.14 Número EC: 628-449-3

GRADE & PURITY ≥95%

Synonyms

AC-6731 | A6085 | (2S)-6-oxopiperidine-2-carboxylic acid | B205413C-614F-44EA-9706-2BBC48FC4F76 | FZXCPFJMYOQZCA-BYPYZUCNSA-N | (S)-6-Oxo-2-piperidinecarboxylic acid | GS-4111 | 2-Piperidinecarboxylic acid, 6-oxo-, (S)- | Q-103017 | L-PYROHOMOGLUTAMIC ACI

Storage

Room temperature

Shipped In

Normal

Descripción general

Application：

(S)-6-Oxo-2-piperidinecarboxylic acid can be used as a reactant to synthesize:

Functionalized β-lactam N-heterocycles via carboxymethylproline synthase catalyzed cyclization reactions. Pro-(S)-C5 branched aza-amide bicycles as potential inhibitors for FK506-binding proteins.

Ethyl (S)-2-(6-oxopiperidin-2-yl)acetate, which is reduced using LiBH4 to produce optically pure hydroxymethyl lactams.

Specifications

Sinónimos

AC-6731 | A6085 | (2S)-6-oxopiperidine-2-carboxylic acid | B205413C-614F-44EA-9706-2BBC48FC4F76 | FZXCPFJMYOQZCA-BYPYZUCNSA-N | (S)-6-Oxo-2-piperidinecarboxylic acid | GS-4111 | 2-Piperidinecarboxylic acid, 6-oxo-, (S)- | Q-103017 | L-PYROHOMOGLUTAMIC ACI

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488197191
• Sonrisas canónicas: C1CC(NC(=O)C1)C(=O)O
• IUPAC Name: (2S)-6-oxopiperidine-2-carboxylic acid
• InChIKey: FZXCPFJMYOQZCA-BYPYZUCNSA-N
• INCHI: 1S/C6H9NO3/c8-5-3-1-2-4(7-5)6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)/t4-/m0/s1
• Isómeros SMILES: C1C[C@H](NC(=O)C1)C(=O)O
• WGK Alemania: 2
• Peso molecular: 143.14
• Reaxy-Rn: 82377
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=82377&ln=

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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Piperidinecarboxylic acids Piperidinones Delta lactams Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Piperidinecarboxylic acid - Delta-lactam - Piperidinone - Piperidine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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: 143.140 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 143.058 Da
• Monoisotopic Mass: 143.058 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 166.000
• 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