2-acetyl-2-azaspiro[3.3]heptane-6-carboxylic acid - ≥97% , CAS No.2303859-30-3

CAS: 2303859-30-3 Cat. No.: A632535 Molecular Weight: 183.2 PubChem CID: 118220738

GRADE & PURITY ≥97%

Synonyms

2-acetyl-2-azaspiro[3.3]heptane-6-carboxylic acid | 2303859-30-3 | SCHEMBL16891677 | MFCD31743677 | SB73878 | BS-43365 | D79588 | EN300-4100768

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-acetyl-2-azaspiro[3.3]heptane-6-carboxylic acid | 2303859-30-3 | SCHEMBL16891677 | MFCD31743677 | SB73878 | BS-43365 | D79588 | EN300-4100768

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(=O)N1CC2(C1)CC(C2)C(=O)O
• IUPAC Name: 2-acetyl-2-azaspiro[3.3]heptane-6-carboxylic acid
• InChIKey: VHEXVKZZMLUUJE-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO3/c1-6(11)10-4-9(5-10)2-7(3-9)8(12)13/h7H,2-5H2,1H3,(H,12,13)
• Isomeric SMILES: CC(=O)N1CC2(C1)CC(C2)C(=O)O
• PubChem CID: 118220738
• Molecular Weight: 183.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Heterocyclic fatty acids
• Alternative Parents: Branched fatty acids Tertiary carboxylic acid amides Acetamides Azetidines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Heterocyclic fatty acid - Branched fatty acid - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Azetidine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as heterocyclic fatty acids. These are fatty acids containing a heterocyclic attached to the acyl chain.
• 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