(2S,5R)-5-((Benzyloxy)amino)piperidine-2-carboxamide - ≥97% , CAS No.1416134-49-0

CAS: 1416134-49-0 Cat. No.: S587179 Peso molecular: 249.31 Número EC: 812-263-6 PubChem CID: 71474579

GRADE & PURITY ≥97%

Synonyms

(2S,5R)-5-[(benzyloxy)amino]piperidine-2-carboxamide | F20854 | A885649 | (2S,5R)-5-((Benzyloxy)amino)piperidine-2-carboxamide | AC-29297 | DTXSID801199513 | AKOS027330850 | AMY30655 | 1416134-49-0 | MFCD29472345 | Avibactam Impurity 3 | OWIVQKMLPQEEGV-NE

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

(2S, 5R)-5-[(benzyloxy)amino]piperidine-2-carboxamide | F20854 | A885649 | (2S, 5R)-5-((Benzyloxy)amino)piperidine-2-carboxamide | AC-29297 | DTXSID801199513 | AKOS027330850 | AMY30655 | 1416134-49-0 | MFCD29472345 | Avibactam Impurity 3 | OWIVQKMLPQEEGV-NE

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Desiccated

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504772135
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772135
• Sonrisas canónicas: C1CC(NCC1NOCC2=CC=CC=C2)C(=O)N
• IUPAC Name: (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide
• InChIKey: OWIVQKMLPQEEGV-NEPJUHHUSA-N
• INCHI: 1S/C13H19N3O2/c14-13(17)12-7-6-11(8-15-12)16-18-9-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2,(H2,14,17)/t11-,12+/m1/s1
• Isómeros SMILES: C1C[C@H](NC[C@@H]1NOCC2=CC=CC=C2)C(=O)N
• PubChem CID: 71474579
• Peso molecular: 249.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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: Piperidinecarboxamides Benzene and substituted derivatives Primary carboxylic acid amides N-organohydroxylamines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - 2-piperidinecarboxamide - Piperidinecarboxamide - Monocyclic benzene moiety - Piperidine - Benzenoid - Carboxamide group - Primary carboxylic acid amide - Secondary amine - Azacycle - Secondary aliphatic amine - N-organohydroxylamine - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 249.310 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 249.148 Da
• Monoisotopic Mass: 249.148 Da
• Topological Polar Surface Area: 76.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 267.000
• 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

Referencias

1. Guangdong Sun, Xiuling He, Meilin Feng, Xia Xu, Jine Chen, Yongqiang Wang.  (2023)  Flavin mononucleotide in visible light photoinitiating systems for multiple-photocrosslinking and photoencapsulation strategies.  Acta Biomaterialia,      [PMID:37797710] [10.1016/j.actbio.2023.09.051]

2. Liu Qingju, Han Ping, Gong Wenwen, Wang Hui, Feng Xiaoyuan.  (2018)  Colorimetric determination of the pesticide chlorothalonil based on the aggregation of gold nanoparticles.  MICROCHIMICA ACTA,  185  (7): (1-7).  [PMID:29971610] [10.1007/s00604-018-2890-7]