(3S,4R)-1-[(tert-butoxy)carbonyl]-4-hydroxypiperidine-3-carboxylic acid - ≥97% , CAS No.220182-20-7

CAS: 220182-20-7 Cat. No.: H632109 Molecular Weight: 245.28 PubChem CID: 45043168

GRADE & PURITY ≥97%

Synonyms

1015939-24-8 | 1-(tert-butoxycarbonyl)-4-hydroxypiperidine-3-carboxylic acid | 220182-20-7 | 4-hydroxypiperidine-1,3-dicarboxylic acid 1-tert butyl ester | 4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid | 4-HYDROXY-PIPERIDINE-1

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1015939-24-8 | 1-(tert-butoxycarbonyl)-4-hydroxypiperidine-3-carboxylic acid | 220182-20-7 | 4-hydroxypiperidine-1, 3-dicarboxylic acid 1-tert butyl ester | 4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid | 4-HYDROXY-PIPERIDINE-1

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)O)O
• IUPAC Name: 4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
• InChIKey: MZOSQXSHAOWJQY-UHFFFAOYSA-N
• INCHI: 1S/C11H19NO5/c1-11(2,3)17-10(16)12-5-4-8(13)7(6-12)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,14,15)
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)O)O
• PubChem CID: 45043168
• Molecular Weight: 245.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Beta hydroxy acids and derivatives Carbamate esters Tertiary amines Secondary alcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Beta-hydroxy acid - Hydroxy acid - Carbamic acid ester - Amino acid or derivatives - Amino acid - Tertiary amine - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• 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: 245.270 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 245.126 Da
• Monoisotopic Mass: 245.126 Da
• Topological Polar Surface Area: 87.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 309.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1