D-Proline - Moligand™, ≥98% , CAS No.344-25-2

CAS: 344-25-2 Cat. No.: P140375 分子式: C₅H₉NO₂ 分子量: 115.13 Beilstein Registry Number: 80811 EC番号: 206-452-7

グレード＆純度 Moligand™, ≥98%

Synonyms

H-D-Pro-OH | (D)-proline | J-300218 | H-Pros-OH | (2R)-pyrrolidine-2-carboxylic acid | AM20090537 | L01Q4LGZ5L | PROLINE, D- | SCHEMBL65555 | (+)-(R)-PROLINE | Q20035962 | R)-2-Carboxypyrrolidine | (R)-PROLINE | D-D-Pro-OH | DTXSID70883367 | GTPL4676 | (R

Storage

Room temperature

Shipped In

Normal

仕様

同義語

H-D-Pro-OH | (D)-proline | J-300218 | H-Pros-OH | (2R)-pyrrolidine-2-carboxylic acid | AM20090537 | L01Q4LGZ5L | PROLINE, D- | SCHEMBL65555 | (+)-(R)-PROLINE | Q20035962 | R)-2-Carboxypyrrolidine | (R)-PROLINE | D-D-Pro-OH | DTXSID70883367 | GTPL4676 | (R

仕様と純度

Moligand™, ≥98%

保管条件

Room temperature

入荷

Normal

等級

Moligand™

純度

≥98%

名前と識別子

パブケム・シド

504751776

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751776

カノニカル・スマイル

C1CC(NC1)C(=O)O

IUPAC Name

(2R)-pyrrolidine-2-carboxylic acid

InChIKey

ONIBWKKTOPOVIA-SCSAIBSYSA-N

INCHI

1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1

異性体SMILES

C1C[C@@H](NC1)C(=O)O

WGKドイツ

3

分子量

115.13

Beilstein

80811

Reaxy-Rn

80809

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=80809&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: D-alpha-amino acids Pyrrolidine carboxylic acids Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid - D-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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: Other amino acids

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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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water (1620 g/l at 20 °C), and acetone (slightly). Insoluble in ethanol.
• 比旋光度［α］: 85° (C=4,H2O)
• 融点（°C）: 223°C
• 分子量: 115.130 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 115.063 Da
• Monoisotopic Mass: 115.063 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• 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