N-Acetyl-DL-tryptophan - PharmPure™, BP, Ph.Eur. , CAS No.87-32-1

CAS: 87-32-1 Cat. No.: GMP1527728 Molecular Weight: 246.26 Beilstein Registry Number: 89478 EC Number: 201-739-3

GRADE & PURITY PharmPure™, BP, Ph.Eur.

Storage

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

Shipped In

Wet ice

Specifications

Specifications & Purity

PharmPure™, BP, Ph.Eur.

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.

Grade

BP, Ph.Eur., PharmPure™

Names and Identifiers

• Canonical Smiles: CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
• IUPAC Name: 2-acetamido-3-(1H-indol-3-yl)propanoic acid
• InChIKey: DZTHIGRZJZPRDV-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)
• Isomeric SMILES: CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
• WGK Germany: 3
• Molecular Weight: 246.26
• Beilstein: 89478
• Reaxy-Rn: 487262
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=487262&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 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-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 - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Indolyl carboxylic acids and derivatives 3-alkylindoles Substituted pyrroles Benzenoids Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha-amino acid - Indolyl carboxylic acid derivative - 3-alkylindole - Indole - Indole or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• External Descriptors: N-acetyl-amino acid - tryptophan derivative

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 Methanol
• Sensitivity: Light Sensitive,Air Sensitive
• Melt Point(°C): 204-206°C
• Molecular Weight: 246.260 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 246.1 Da
• Monoisotopic Mass: 246.1 Da
• Topological Polar Surface Area: 82.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 332.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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. Chencheng Dai, Yiwei Cao, Yiran Xu, Moyuan Li, Guangquan Liu, Sujuan Xu, Nuo Ye, Changxiang Shi, Tiantian Fan, Pengfei Xu, Xuemei Jia.  (2026)  Serum metabolic fingerprinting for diagnosis and therapeutic applications of ovarian endometriosis.  iScience,  29  (3):   [PMID:41743236] [10.1016/j.isci.2026.114887]