DL-ピペコール酸 - ≥97% , CAS No.535-75-1

CAS: 535-75-1 Cat. No.: P101393 分子式: C₆H₁₁NO₂ 分子量: 129.16 EC番号: 208-616-3

GRADE & PURITY ≥97%

Synonyms

(+/-)-Pipecolinic acid | 2-PIPERIDINECARBOXYLIC ACID | 2-piperidine-carboxylic acid | Acide pipecolique [French] | FT-0613361 | SY003075 | 2-Piperidinecarboxylic acid, (S)- | 2-piperidinic acid | DL-Pipecolic acid;H-DL-Pip-OH | DL-Pipecolinic acid | (D)-(

Storage

Protected from light,Desiccated,Room temperature

Shipped In

ノーマル

Specifications

同義語

(+/-)-Pipecolinic acid | 2-PIPERIDINECARBOXYLIC ACID | 2-piperidine-carboxylic acid | Acide pipecolique [French] | FT-0613361 | SY003075 | 2-Piperidinecarboxylic acid, (S)- | 2-piperidinic acid | DL-Pipecolic acid;H-DL-Pip-OH | DL-Pipecolinic acid | (D)-(

仕様と純度

≥97%

保管条件

Protected from light,Desiccated,Room temperature

入荷

ノーマル

純度

≥97%

名前と識別子

パブケム・シド

508810490

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508810490

カノニカル・スマイル

C1CCNC(C1)C(=O)O

IUPAC Name

piperidine-2-carboxylic acid

InChIKey

HXEACLLIILLPRG-UHFFFAOYSA-N

INCHI

1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)

異性体SMILES

C1CCNC(C1)C(=O)O

WGKドイツ

3

代替CAS番号

4043-87-2

分子量

129.16

Reaxy-Rn

81095

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81095&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 Alpha amino acids

• 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: Alpha amino acids
• Alternative Parents: Piperidinecarboxylic 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: Alpha-amino acid - Piperidinecarboxylic acid - Piperidine - Amino acid - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Organic nitrogen compound - Organic oxide - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• External Descriptors: piperidinemonocarboxylic acid

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

関連ターゲット（人間）

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PIPOX Tbio Peroxisomal sarcosine oxidase (13 Activities)

Discover Target: PIPOX

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLI1 Tchem Zinc finger protein GLI1 (201 Activities)

Discover Target: GLI1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Slc25a20 Carnitine/acylcarnitine translocase (26 Activities)

Discover Target: Slc25a20

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

dapA Dihydrodipicolinate synthase (65 Activities)

Discover Target: dapA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive.
• 融点（°C）: 280°C
• 分子量: 129.160 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 129.079 Da
• Monoisotopic Mass: 129.079 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 114.000
• 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