(R)-Fmoc-3-benzyl-piperidine-3-carboxylic acid - ≥97% , CAS No.1354752-72-9

CAS: 1354752-72-9 Cat. No.: R1228282 PubChem CID: 86810490

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CC(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)(CC5=CC=CC=C5)C(=O)O
• IUPAC Name: (3R)-3-benzyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
• InChIKey: MPPGEVRAOIMFQJ-MUUNZHRXSA-N
• INCHI: 1S/C28H27NO4/c30-26(31)28(17-20-9-2-1-3-10-20)15-8-16-29(19-28)27(32)33-18-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h1-7,9-14,25H,8,15-19H2,(H,30,31)/t28-/m1/s1
• Isómeros SMILES: C1C[C@](CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)(CC5=CC=CC=C5)C(=O)O
• CAS alternativo: 1354752-72-9
• PubChem CID: 86810490

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: 3-benzylpiperidines Phenylpropanoic acids Piperidinecarboxylic acids Benzene and substituted derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - 3-benzylpiperidine - Benzylpiperidine - 3-phenylpropanoic-acid - Piperidinecarboxylic acid - Piperidine - Monocyclic benzene moiety - Carbamic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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: 441.500 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 441.194 Da
• Monoisotopic Mass: 441.194 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 682.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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