1-Boc-L-prolinamide - ≥97% , CAS No.35150-07-3

CAS: 35150-07-3 Cat. No.: B102424 分子式: C₁₀H₁₈N₂O₃ 分子量: 214.26 EC番号: 626-262-1

GRADE & PURITY ≥97%

Synonyms

(R)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylate | SCHEMBL240483 | DL-1-Boc-prolinamide | L-1-N-Boc-prolinamide | PITJAAIPVBVRAO-ZETCQYMHSA-N | 1-Boc-L-prolinamide | tert-Butyl (S)-2-Carbamoyl-1-pyrrolidinecarboxylate | N-Boc-L-prolinamide | (s)-tert-b

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

(R)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylate | SCHEMBL240483 | DL-1-Boc-prolinamide | L-1-N-Boc-prolinamide | PITJAAIPVBVRAO-ZETCQYMHSA-N | 1-Boc-L-prolinamide | tert-Butyl (S)-2-Carbamoyl-1-pyrrolidinecarboxylate | N-Boc-L-prolinamide | (s)-tert-b

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 488196104
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488196104
• カノニカル・スマイル: CC(C)(C)OC(=O)N1CCCC1C(=O)N
• IUPAC Name: tert-butyl (2S)-2-carbamoylpyrrolidine-1-carboxylate
• InChIKey: PITJAAIPVBVRAO-ZETCQYMHSA-N
• INCHI: 1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)/t7-/m0/s1
• 異性体SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N
• WGKドイツ: 2
• 分子量: 214.26
• Reaxy-Rn: 10662896
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10662896&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: Alpha amino acid amides Pyrrolidinecarboxamides Pyrrolidine carboxylic acids Carbamate esters Primary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid amide - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Carbamic acid ester - Pyrrolidine - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

化学的性質と物理的性質

• 比旋光度［α］: -45° (C=1,MeOH)
• 融点（°C）: 104-108°C
• 分子量: 214.260 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.132 Da
• Monoisotopic Mass: 214.132 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 270.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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