cis-5-hydroxypiperidine-2-carboxylic acid - ≥97% , CAS No.17027-45-1

CAS: 17027-45-1 Cat. No.: C630231 Molecular Weight: 145.16 EC Number: 878-665-9

GRADE & PURITY ≥97%

Synonyms

A868248 | DS-7684 | AKOS006350930 | cis-5-hydroxypiperidine-2-carboxylic acid | MFCD19217172 | (2s,5s)-5-hydroxypipecolic acid | RKEYKDXXZCICFZ-WHFBIAKZSA-N | L-cis-5-Hydroxypipecolic acid | (2S,5S)-5-HYDROXYPIPERIDINE-2-CARBOXYLICACID | InChI=1/C6H11NO3/

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A868248 | DS-7684 | AKOS006350930 | cis-5-hydroxypiperidine-2-carboxylic acid | MFCD19217172 | (2s, 5s)-5-hydroxypipecolic acid | RKEYKDXXZCICFZ-WHFBIAKZSA-N | L-cis-5-Hydroxypipecolic acid | (2S, 5S)-5-HYDROXYPIPERIDINE-2-CARBOXYLICACID | InChI=1/C6H11NO3/

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC(NCC1O)C(=O)O
• IUPAC Name: (2S,5S)-5-hydroxypiperidine-2-carboxylic acid
• InChIKey: RKEYKDXXZCICFZ-WHFBIAKZSA-N
• INCHI: 1S/C6H11NO3/c8-4-1-2-5(6(9)10)7-3-4/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5-/m0/s1
• Isomeric SMILES: C1C[C@H](NC[C@H]1O)C(=O)O
• Alternate CAS: 63088-78-8
• Molecular Weight: 145.16
• Reaxy-Rn: 81661
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81661&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
              • Level8 L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Piperidinecarboxylic acids Secondary alcohols Amino acids 1,2-aminoalcohols Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: L-alpha-amino acid - Piperidinecarboxylic acid - Piperidine - Amino acid - Secondary alcohol - 1,2-aminoalcohol - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon 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

Chemical and Physical Properties

• Molecular Weight: 145.160 g/mol
• XLogP3: -3.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 145.074 Da
• Monoisotopic Mass: 145.074 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 137.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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