(R)-Methyl 2-amino-3-(1H-indol-3-yl)propanoate - ≥97% , CAS No.22032-65-1

CAS: 22032-65-1 Cat. No.: R588188 Molecular Weight: 218.25 EC Number: 988-732-5 PubChem CID: 168016

GRADE & PURITY ≥97%

Synonyms

(R)-methyl 2-amino-3-(1H-indol-3-yl)propanoate | AKOS030213046 | EN300-118149 | D-Tryptophan, methyl ester | AB10082 | SCHEMBL475267 | KCUNTYMNJVXYKZ-SNVBAGLBSA-N | BS-50069 | D-TRYPTOPHAN METHYL ESTER | (R)-2-amino-3-(1H-indol-3-yl)-propionic acid methyl

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(R)-methyl 2-amino-3-(1H-indol-3-yl)propanoate | AKOS030213046 | EN300-118149 | D-Tryptophan, methyl ester | AB10082 | SCHEMBL475267 | KCUNTYMNJVXYKZ-SNVBAGLBSA-N | BS-50069 | D-TRYPTOPHAN METHYL ESTER | (R)-2-amino-3-(1H-indol-3-yl)-propionic acid methyl

Specifications & Purity

≥97%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C(CC1=CNC2=CC=CC=C21)N
• IUPAC Name: methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
• InChIKey: KCUNTYMNJVXYKZ-SNVBAGLBSA-N
• INCHI: 1S/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3/t10-/m1/s1
• Isomeric SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)N
• PubChem CID: 168016
• Molecular Weight: 218.25

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 acid esters

• 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
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Indolyl carboxylic acids and derivatives 3-alkylindoles Fatty acid esters Aralkylamines Substituted pyrroles Benzenoids Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Indolyl carboxylic acid derivative - 3-alkylindole - Indole or derivatives - Indole - Aralkylamine - Fatty acid ester - Fatty acyl - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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: air sensitive；heat sensitive
• Molecular Weight: 218.250 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 218.106 Da
• Monoisotopic Mass: 218.106 Da
• Topological Polar Surface Area: 68.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 257.000
• 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

References

1. Li Xiangfei, Qiao Juan, Sun Yongjun, Li Zhiwei, Qi Li.  (2021)  Ligand-modulated synthesis of gold nanoclusters for sensitive and selective detection of folic acid.  Journal of Analytical Science and Technology,  12  (1): (1-8).  [PMID:] [10.1186/s40543-021-00266-6]