1-Boc-4-aminopiperidine-4-carboxylic acid - ≥97% , CAS No.183673-71-4

CAS: 183673-71-4 Cat. No.: B119056 Molecular Weight: 244.29 EC Number: 675-662-2

GRADE & PURITY ≥97%

Synonyms

A1-01785 | IDI1_011390 | BS-9753 | 1,4-Piperidinedicarboxylic acid,4-amino-,1-tert-butyl ester | 4-amino-1-boc-isonipecotic acid | DTXSID90351230 | EN300-184105 | MENTHYLSALICYLATE | SR-01000003312-1 | SR-01000003312 | YNHLVALLAURVJF-UHFFFAOYSA-N | FT-061

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

1-Boc-4-aminopiperidine-4-carboxylic Acid is a Boc-protected piperidine-based amino acid compound. 1-Boc-4-aminopiperidine-4-carboxylic Acid is a useful fragment for synthesis and has been described to be useful in preparing water-soluble helical peptides.
It is involved in investigations of conformational effects on electron-transfer efficientcy in peptide foldamers.Reactant for synthesis of: SIRT2 inhibitors Melanin-concentrating hormone receptor 1 antagonists Bradykinin hB2 receptor antagonists Neurokinin-1 receptor ligands

Specifications

Synonyms

A1-01785 | IDI1_011390 | BS-9753 | 1, 4-Piperidinedicarboxylic acid, 4-amino-, 1-tert-butyl ester | 4-amino-1-boc-isonipecotic acid | DTXSID90351230 | EN300-184105 | MENTHYLSALICYLATE | SR-01000003312-1 | SR-01000003312 | YNHLVALLAURVJF-UHFFFAOYSA-N | FT-061

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488191167
• Canonical Smiles: CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)N
• IUPAC Name: 4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
• InChIKey: YNHLVALLAURVJF-UHFFFAOYSA-N
• INCHI: 1S/C11H20N2O4/c1-10(2,3)17-9(16)13-6-4-11(12,5-7-13)8(14)15/h4-7,12H2,1-3H3,(H,14,15)
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)N
• WGK Germany: 3
• Molecular Weight: 244.29
• Reaxy-Rn: 7588844
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7588844&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: D-alpha-amino acids Piperidinecarboxylic acids Aminopiperidines Carbamate esters Organic carbonic acids and derivatives Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: L-alpha-amino acid - D-alpha-amino acid - Piperidinecarboxylic acid - 4-aminopiperidine - Piperidine - Carbamic acid ester - Carbonic acid derivative - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Amine - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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

• Solubility: Soluble in water, and methanol
• Sensitivity: light sensitive
• Melt Point(°C): 289-294°C
• Molecular Weight: 244.290 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 244.142 Da
• Monoisotopic Mass: 244.142 Da
• Topological Polar Surface Area: 92.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 314.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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