(8R,9aS)-8-hydroxy-2,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-1-one - ≥97% , CAS No.1613629-95-0

CAS: 1613629-95-0 Cat. No.: H681732 Molecular Weight: 170.21 PubChem CID: 90217943

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Product Properties

• ALogP: -0.7

Names and Identifiers

• Canonical Smiles: C1CNC(=O)[C@@H]2C[C@H](CN2C1)O
• InChIKey: AYWUGJFKBSWUCK-RQJHMYQMSA-N
• INCHI: 1S/C8H14N2O2/c11-6-4-7-8(12)9-2-1-3-10(7)5-6/h6-7,11H,1-5H2,(H,9,12)/t6-,7+/m1/s1
• Isomeric SMILES: C1CNC(=O)[C@@H]2C[C@H](CN2C1)O
• PubChem CID: 90217943
• Molecular Weight: 170.21

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: 1,4-diazepanes N-alkylpyrrolidines Trialkylamines Secondary carboxylic acid amides Secondary alcohols Lactams 1,2-aminoalcohols Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - 1,4-diazepane - Diazepane - N-alkylpyrrolidine - Pyrrolidine - 1,2-aminoalcohol - Carboxamide group - Lactam - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Alcohol - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic 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