cis-1-[(benzyloxy)carbonyl]-4-fluoropyrrolidine-3-carboxylic acid - ≥97% , CAS No.1269755-11-4

CAS: 1269755-11-4 Cat. No.: C173167 Peso molecular: 267.256

GRADE & PURITY ≥97%

Synonyms

(3R,4S)-1-((Benzyloxy)carbonyl)-4-fluoropyrrolidine-3-carboxylic acid | AKOS025289530 | (3R,4S)-rel-1-[(benzyloxy)carbonyl]-4-fluoropyrrolidine-3-carboxylic acid | 1269755-11-4 | (3R,4S)-1-[(benzyloxy)carbonyl]-4-fluoropyrrolidine-3-carboxylic acid | CIS-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(3R, 4S)-1-((Benzyloxy)carbonyl)-4-fluoropyrrolidine-3-carboxylic acid | AKOS025289530 | (3R, 4S)-rel-1-[(benzyloxy)carbonyl]-4-fluoropyrrolidine-3-carboxylic acid | 1269755-11-4 | (3R, 4S)-1-[(benzyloxy)carbonyl]-4-fluoropyrrolidine-3-carboxylic acid | CIS-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1C(C(CN1C(=O)OCC2=CC=CC=C2)F)C(=O)O
• IUPAC Name: (3R,4S)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
• InChIKey: JQGKTZMTJXSICS-WDEREUQCSA-N
• INCHI: 1S/C13H14FNO4/c14-11-7-15(6-10(11)12(16)17)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,17)/t10-,11+/m0/s1
• Isómeros SMILES: C1[C@@H]([C@@H](CN1C(=O)OCC2=CC=CC=C2)F)C(=O)O
• Peso molecular: 267.256
• Reaxy-Rn: 42331848
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42331848&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Pyrrolidine carboxylic acids Carbamate esters Tertiary amines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzyloxycarbonyl - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Carbamic acid ester - Pyrrolidine - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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: 267.250 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 267.091 Da
• Monoisotopic Mass: 267.091 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 344.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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