(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid - ≥97% , CAS No.926276-11-1

CAS: 926276-11-1 Cat. No.: A635161 Peso molecular: 155.19 PubChem CID: 16244073

GRADE & PURITY ≥97%

Synonyms

(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid | PS-16330 | DTXSID10585631 | (1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid | AC-24665 | rel (1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid | AKOS0

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(3S, 3aS, 6aR)-1, 2, 3, 3a, 4, 5, 6, 6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid | PS-16330 | DTXSID10585631 | (1S, 3aR, 6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid | AC-24665 | rel (1S, 3aR, 6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid | AKOS0

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: C1CC2CNC(C2C1)C(=O)O
• IUPAC Name: (3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
• InChIKey: KWRNCAUXSJOYQO-ACZMJKKPSA-N
• INCHI: 1S/C8H13NO2/c10-8(11)7-6-3-1-2-5(6)4-9-7/h5-7,9H,1-4H2,(H,10,11)/t5-,6-,7-/m0/s1
• Isómeros SMILES: C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)O
• CAS alternativo: 926276-11-1
• PubChem CID: 16244073
• Peso molecular: 155.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Sugar acids and derivatives
          • Level6 Sugar amino acids and derivatives
            • Level7 Bicyclic amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Sugar acids and derivatives - Sugar amino acids and derivatives
• Direct Parent: Bicyclic amino acids and derivatives
• Alternative Parents: L-alpha-amino acids Pyrrolidine carboxylic acids Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Bicyclic amino acid - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Carboxylic acid derivative - Azacycle - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Carbonyl group - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bicyclic amino acids and derivatives. These are sugar amino acids in which the amino acid is attached to or partly borne within a bicyclic ring system.
• 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: 155.190 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 155.095 Da
• Monoisotopic Mass: 155.095 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 181.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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