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

CAS: 32703-87-0 Cat. No.: B183718 Formule: C₁₂H₁₈N₂O₆ Poids moléculaire: 286.3 Numéro 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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Sourires canoniques

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)

Isomères SMILES

CC(C)(C)OC(=O)NCCC(=O)ON1C(=O)CCC1=O

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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