Boc-α-allyl-DL-Pro-OH - ≥96% , CAS No.315234-49-2

CAS: 315234-49-2 Cat. No.: B464174 Formula: C₁₃H₂₁NO₄ Peso molecolare: 255.31 Numero EC: 826-219-9

GRADE & PURITY ≥96%

Synonyms

Boc- alpha -allyl-DL-Pro-OH | 1-[(tert-butoxy)carbonyl]-2-(prop-2-en-1-yl)pyrrolidine-2-carboxylicacid | FT-0769479 | FT-0770703 | A-allyl-DL-Pro-OH | Boc-alpha-allyl-DL-Pro-OH | FT-0774421 | SCHEMBL7258557 | EN300-172816 | J-018450 | N-Boc-2-allyl-L-prol

Storage

Room temperature

Specifications

Sinonimi

Boc- alpha -allyl-DL-Pro-OH | 1-[(tert-butoxy)carbonyl]-2-(prop-2-en-1-yl)pyrrolidine-2-carboxylicacid | FT-0769479 | FT-0770703 | A-allyl-DL-Pro-OH | Boc-alpha-allyl-DL-Pro-OH | FT-0774421 | SCHEMBL7258557 | EN300-172816 | J-018450 | N-Boc-2-allyl-L-prol

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥96%

Nomi e identificatori

Sorrisi canonici

CC(C)(C)OC(=O)N1CCCC1(CC=C)C(=O)O

IUPAC Name

1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpyrrolidine-2-carboxylic acid

InChIKey

ZTMLHNDSVVOEEH-UHFFFAOYSA-N

INCHI

1S/C13H21NO4/c1-5-7-13(10(15)16)8-6-9-14(13)11(17)18-12(2,3)4/h5H,1,6-9H2,2-4H3,(H,15,16)

Isomeri SMILES

CC(C)(C)OC(=O)N1CCCC1(CC=C)C(=O)O

WGK Germania

3

Peso molecolare

255.31

Reaxy-Rn

14613900

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14613900&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Pyrrolidine carboxylic acids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 255.310 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 255.147 Da
• Monoisotopic Mass: 255.147 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 358.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1