1-tert-butyl 3-methyl (3R,5S)-5-aminopiperidine-1,3-dicarboxylate - ≥97% , CAS No.534572-24-2

CAS: 534572-24-2 Cat. No.: T634060 Molecular Weight: 294.77 PubChem CID: 53677987

GRADE & PURITY ≥97%

Synonyms

191544-79-3 | 1-tert-butyl 3-methyl (3R,5S)-rel-5-aminopiperidine-1,3-dicarboxylate | 1-tert-butyl 3-methyl (3R,5S)-5-aminopiperidine-1,3-dicarboxylate | (3R,5S)-1-tert-Butyl 3-methyl 5-aminopiperidine-1,3-dicarboxylate | SCHEMBL2898865 | MFCD26516373 | 5

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

191544-79-3 | 1-tert-butyl 3-methyl (3R, 5S)-rel-5-aminopiperidine-1, 3-dicarboxylate | 1-tert-butyl 3-methyl (3R, 5S)-5-aminopiperidine-1, 3-dicarboxylate | (3R, 5S)-1-tert-Butyl 3-methyl 5-aminopiperidine-1, 3-dicarboxylate | SCHEMBL2898865 | MFCD26516373 | 5

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CC(CC(C1)N)C(=O)OC
• IUPAC Name: 1-O-tert-butyl 3-O-methyl (3R,5S)-5-aminopiperidine-1,3-dicarboxylate
• InChIKey: BEOGYMDIRWHZBM-BDAKNGLRSA-N
• INCHI: 1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-8(10(15)17-4)5-9(13)7-14/h8-9H,5-7,13H2,1-4H3/t8-,9+/m1/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N1C[C@@H](C[C@@H](C1)N)C(=O)OC
• PubChem CID: 53677987
• Molecular Weight: 294.77

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 Gamma amino acids and derivatives

• 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
• Direct Parent: Gamma amino acids and derivatives
• Alternative Parents: Piperidinecarboxylic acids Aminopiperidines Methyl esters Carbamate esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma amino acid or derivatives - Piperidinecarboxylic acid - 3-aminopiperidine - Piperidine - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma 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: 258.310 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 258.158 Da
• Monoisotopic Mass: 258.158 Da
• Topological Polar Surface Area: 81.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 325.000
• 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