Ac-DL-Pro-OH - ≥98% , CAS No.1074-79-9

CAS: 1074-79-9 Cat. No.: A179290 Summenformel: C₇H₁₁NO₃ Molekulargewicht: 157.2

GRADE & PURITY ≥98%

Synonyms

DTXSID001015808 | 1-acetylpyrrolidine-2-carboxylicacid | AG-205/01792011 | CCG-39982 | FT-0657941 | KBio2_006599 | N-Acetyl-DL-proline | NCGC00094840-02 | DL-Acetylproline | Spectrum5_001731 | KBioSS_001463 | SMR001306727 | Z57472782 | AKOS000264132 | NSC

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID001015808 | 1-acetylpyrrolidine-2-carboxylicacid | AG-205/01792011 | CCG-39982 | FT-0657941 | KBio2_006599 | N-Acetyl-DL-proline | NCGC00094840-02 | DL-Acetylproline | Spectrum5_001731 | KBioSS_001463 | SMR001306727 | Z57472782 | AKOS000264132 | NSC

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488189498
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189498
• Kanonisches Lächeln: CC(=O)N1CCCC1C(=O)O
• IUPAC Name: 1-acetylpyrrolidine-2-carboxylic acid
• InChIKey: GNMSLDIYJOSUSW-UHFFFAOYSA-N
• INCHI: 1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)
• Isomere SMILES: CC(=O)N1CCCC1C(=O)O
• Molekulargewicht: 157.2
• Reaxy-Rn: 83201
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=83201&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 N-acyl-alpha amino acids and derivatives
              • Ebene8 N-acyl-alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Proline and derivatives Pyrrolidine carboxylic acids N-acylpyrrolidines Tertiary carboxylic acid amides Acetamides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-acyl-alpha-amino acid - Proline or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Tertiary carboxylic acid amide - Acetamide - Carboxamide group - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 157.170 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 157.074 Da
• Monoisotopic Mass: 157.074 Da
• Topological Polar Surface Area: 57.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 190.000
• 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