3-(Boc-amino)-L-alanine - ≥98% , CAS No.74536-29-1

CAS: 74536-29-1 Cat. No.: H1456140 Molecular Weight: 204.22

GRADE & PURITY ≥98%

Synonyms

(S)-2-Amino-3-((tert-butoxycarbonyl)amino)propanoic acid | N-β-t-Butoxycarbonyl-L-α,β-diaminopropionic acid | 3-(Boc-amino)-L-alanine | (S)-2-Amino-3-((tert-butoxycarbonyl)amino)propanoic acid | N-β-t-Butoxycarbonyl-L-α,β-diaminopropionic acid

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(S)-2-Amino-3-((tert-butoxycarbonyl)amino)propanoic acid | N-β-t-Butoxycarbonyl-L-α, β-diaminopropionic acid | 3-(Boc-amino)-L-alanine | (S)-2-Amino-3-((tert-butoxycarbonyl)amino)propanoic acid | N-β-t-Butoxycarbonyl-L-α, β-diaminopropionic acid

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: N[C@@H](CNC(OC(C)(C)C)=O)C(O)=O
• IUPAC Name: (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• InChIKey: ZSJIIZWMJVWKIR-YFKPBYRVSA-N
• INCHI: 1S/C8H16N2O4/c1-8(2,3)14-7(13)10-4-5(9)6(11)12/h5H,4,9H2,1-3H3,(H,10,13)(H,11,12)/t5-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)NC[C@@H](C(=O)O)N
• Molecular Weight: 204.22
• Reaxy-Rn: 23423674
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23423674&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: Carbamate esters Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-alpha-amino acid - Carbamic acid ester - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Aliphatic acyclic 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

• Sensitivity: light & Moisture sensitive
• Melt Point(°C): 201-211° C
• Molecular Weight: 204.220 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 204.111 Da
• Monoisotopic Mass: 204.111 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 222.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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