DL-Pyroglutamic acid - Moligand™, ≥98% , CAS No.149-87-1

CAS: 149-87-1 Cat. No.: P106219 Fórmula: C₅H₇NO₃ Peso molecular: 129.11 Beilstein Registry Number: 82134 Número CE: 205-748-3

GRADE & PURITY Moligand™, ≥98%

Synonyms

AB00443776-07 | MFCD00064322 | 2-pyrrolidone-5-carboxylicacid | DL-Pidolic acid | NSC40887 | NSC-40887 | FT-0605097 | dl-pyrrolidonecarboxylic acid | Proline-2,3,3,4,4-d5,5-oxo- (9CI) | PYROGLUTAMIC ACID, DL- | 2-Pyrrolidone-5-carboxylic acid | BB 0241896

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AB00443776-07 | MFCD00064322 | 2-pyrrolidone-5-carboxylicacid | DL-Pidolic acid | NSC40887 | NSC-40887 | FT-0605097 | dl-pyrrolidonecarboxylic acid | Proline-2,3,3,4,4-d5,5-oxo- (9CI) | PYROGLUTAMIC ACID, DL- | 2-Pyrrolidone-5-carboxylic acid | BB 0241896

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 508810492
• Sorrisos canónicos: C1CC(=O)NC1C(=O)O
• IUPAC Name: 5-oxopyrrolidine-2-carboxylic acid
• InChIKey: ODHCTXKNWHHXJC-UHFFFAOYSA-N
• INCHI: 1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
• SMILES isoméricas: C1CC(=O)NC1C(=O)O
• WGK Alemanha: 3
• Peso molecular: 129.11
• Beilstein: 82134
• Reaxy-Rn: 82131
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=82131&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: Pyrrolidine carboxylic acids Oxoprolines Pyrrolidine-2-ones Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: pyrrolidinemonocarboxylic acid - pyrrolidin-2-ones - oxoproline

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

Alvos associados (não humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water.
• Ponto de fusão (°C): 180-185°C
• Peso molecular: 129.110 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 129.043 Da
• Monoisotopic Mass: 129.043 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 154.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referências

1. Ming-Yu Ye, Luhao Qiu, Guodan Wei, Jun Wei.  (2026)  Enhanced Luminescence Properties of Lanthanide Metal–Organic Frameworks with Low Symmetry Structure Induced by Chiral Ligand.  Small Structures,  7  (1): (e202500514).  [PMID:] [10.1002/sstr.202500514]