Boc-beta-Ala-OSu Boc-beta-Ala-OSu - ≥98% , CAS No.32703-87-0

CAS: 32703-87-0 Cat. No.: B183718 Fórmula: C₁₂H₁₈N₂O₆ Peso molecular: 286.3 Número CE: 190-371-6

GRADE & PURITY ≥98%

Synonyms

Boc-b-Ala-Osu | 2,5-dioxopyrrolidin-1-yl 3-(tert-butoxycarbonylamino)propanoate | A-Ala-Osu | Boc- | Boc-Beta-Ala-OSu | AKOS016003109 | Tox21_201601 | TVWATMRQKCTKAU-UHFFFAOYSA-N | AI3-28763 | DTXSID90443523 | Boc-I(2)-Ala-Osu | Boc-b-Alanine N-hydroxysuc

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Boc-b-Ala-Osu | 2,5-dioxopyrrolidin-1-yl 3-(tert-butoxycarbonylamino)propanoate | A-Ala-Osu | Boc- | Boc-Beta-Ala-OSu | AKOS016003109 | Tox21_201601 | TVWATMRQKCTKAU-UHFFFAOYSA-N | AI3-28763 | DTXSID90443523 | Boc-I(2)-Ala-Osu | Boc-b-Alanine N-hydroxysuc

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CC(C)(C)OC(=O)NCCC(=O)ON1C(=O)CCC1=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• InChIKey: TVWATMRQKCTKAU-UHFFFAOYSA-N
• INCHI: 1S/C12H18N2O6/c1-12(2,3)19-11(18)13-7-6-10(17)20-14-8(15)4-5-9(14)16/h4-7H2,1-3H3,(H,13,18)
• SMILES isoméricas: CC(C)(C)OC(=O)NCCC(=O)ON1C(=O)CCC1=O
• Peso molecular: 286.3
• Reaxy-Rn: 1498033
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1498033&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Carbamate esters Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Carbamic acid ester - Dicarboximide - Lactam - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• 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

Propriedades químicas e físicas

• Peso molecular: 286.280 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 286.116 Da
• Monoisotopic Mass: 286.116 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 410.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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