2-(2-Oxopiperazin-1-yl)acetic acid - ≥95% , CAS No.24860-46-6

CAS: 24860-46-6 Cat. No.: O192294 Peso molecular: 158.16

GRADE & PURITY ≥95%

Synonyms

AB53394 | A877778 | MFCD09838956 | DTXSID50633862 | FT-0647567 | 2-Oxo-1-piperazineacetic acid | 2-oxo-1-piperazine-acetic acid | 2-(2-OXOPIPERAZIN-1-YL)ACETICACID | VYKYEBFQKSINNA-UHFFFAOYSA-N | 2-(2-OXOPIPERAZIN-1-YL)ACETIC ACID | SCHEMBL3833137 | 1-PIP

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AB53394 | A877778 | MFCD09838956 | DTXSID50633862 | FT-0647567 | 2-Oxo-1-piperazineacetic acid | 2-oxo-1-piperazine-acetic acid | 2-(2-OXOPIPERAZIN-1-YL)ACETICACID | VYKYEBFQKSINNA-UHFFFAOYSA-N | 2-(2-OXOPIPERAZIN-1-YL)ACETIC ACID | SCHEMBL3833137 | 1-PIP

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CN(C(=O)CN1)CC(=O)O
• IUPAC Name: 2-(2-oxopiperazin-1-yl)acetic acid
• InChIKey: VYKYEBFQKSINNA-UHFFFAOYSA-N
• INCHI: 1S/C6H10N2O3/c9-5-3-7-1-2-8(5)4-6(10)11/h7H,1-4H2,(H,10,11)
• Isómeros SMILES: C1CN(C(=O)CN1)CC(=O)O
• Peso molecular: 158.16
• Reaxy-Rn: 744223
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=744223&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 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Alpha amino acids and derivatives N-alkylpiperazines Tertiary carboxylic acid amides Lactams Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - Alpha-amino acid or derivatives - N-alkylpiperazine - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Lactam - Carboxylic acid - Secondary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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: 158.160 g/mol
• XLogP3: -3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 158.069 Da
• Monoisotopic Mass: 158.069 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 181.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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