Boc-Glycine - ≥99% , CAS No.4530-20-5

CAS: 4530-20-5 Cat. No.: B105464 Formula: C₇H₁₃NO₄ Molecular Weight: 175.18 Beilstein Registry Number: 1101514 EC Number: 224-864-5

GRADE & PURITY ≥99%

Synonyms

Boc-Gly-OH | BOC-GLYCINE-OH | N-(Boc)-Glycine | N-(tertiary butoxycarbonyl)glycine | N-tert-butoxy carbonyl-glycine | t-Butyloxycarbonyl glycine | (3-Anilinopropyl)trimethoxysilane | 2,2,2-Trifluoro-1-(trifluoromethyl)ethyl methacrylate | 2-tert-butoxycar

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

N-tert-Boc-glycine-OH is used in the composition of drugs containing Ketoprofen, and Sodium hyaluronate as anti-inflammatory agents.
An anti-inflammatory agent.

Specifications

Synonyms

Boc-Gly-OH | BOC-GLYCINE-OH | N-(Boc)-Glycine | N-(tertiary butoxycarbonyl)glycine | N-tert-butoxy carbonyl-glycine | t-Butyloxycarbonyl glycine | (3-Anilinopropyl)trimethoxysilane | 2,2,2-Trifluoro-1-(trifluoromethyl)ethyl methacrylate | 2-tert-butoxycar

Specifications & Purity

≥99%

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

≥99%

Names and Identifiers

Pubchem Sid

504755269

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755269

Canonical Smiles

CC(C)(C)OC(=O)NCC(=O)O

IUPAC Name

2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

InChIKey

VRPJIFMKZZEXLR-UHFFFAOYSA-N

INCHI

1S/C7H13NO4/c1-7(2,3)12-6(11)8-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)O

WGK Germany

3

UN Number

2811

Molecular Weight

175.18

Beilstein

1101514

Reaxy-Rn

1101514

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1101514&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

• 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: Alpha amino acids and derivatives
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Chloroform.
• Sensitivity: heat sensitive
• Melt Point(°C): 88-92°C
• Molecular Weight: 175.180 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 175.084 Da
• Monoisotopic Mass: 175.084 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 182.000
• 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