1-Boc-5-hydroxypiperidine-3-carboxylic acid - ≥95% , CAS No.1095010-48-2

CAS: 1095010-48-2 Cat. No.: B179376 Molecular Weight: 245.3

GRADE & PURITY ≥95%

Synonyms

1-Cycloheptene-1-carboxaldehyde, 2-chloro- | DTXSID50678076 | FT-0741063 | AXUHIOXBQRNCOL-UHFFFAOYSA-N | A895020 | EN300-184112 | SCHEMBL17729046 | 5-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid | SY004056 | 1-Boc-5-Hydroxypipe

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-Cycloheptene-1-carboxaldehyde, 2-chloro- | DTXSID50678076 | FT-0741063 | AXUHIOXBQRNCOL-UHFFFAOYSA-N | A895020 | EN300-184112 | SCHEMBL17729046 | 5-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid | SY004056 | 1-Boc-5-Hydroxypipe

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CC(CC(C1)O)C(=O)O
• IUPAC Name: 5-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
• InChIKey: AXUHIOXBQRNCOL-UHFFFAOYSA-N
• INCHI: 1S/C11H19NO5/c1-11(2,3)17-10(16)12-5-7(9(14)15)4-8(13)6-12/h7-8,13H,4-6H2,1-3H3,(H,14,15)
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC(CC(C1)O)C(=O)O
• Molecular Weight: 245.3
• Reaxy-Rn: 21478085
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21478085&ln=

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: 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 - Carbamic acid ester - Amino acid or derivatives - Secondary alcohol - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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: 0.200
• 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