N(2)-malonyl-D-tryptophan

Base Information

• Chemical Name: N(2)-malonyl-D-tryptophan
• CAS No.: 3184-74-5
• Molecular Formula: C14H14N2O5
• Molecular Weight: 290.27100
• DSSTox Substance ID: DTXSID00331462
• Nikkaji Number: J2.742.352C
• Wikidata: Q27098275
• Metabolomics Workbench ID: 50290
• Mol file: 3184-74-5.mol

Synonyms:N-(2-Carboxyacetyl)-D-tryptophan;3184-74-5;N(2)-malonyl-D-tryptophan;N2-Malonyl-D-tryptophan;D-Tryptophan, N-(carboxyacetyl)-;N-(carboxyacetyl)-D-tryptophan;(2R)-2-[(2-carboxyacetyl)amino]-3-(1H-indol-3-yl)propanoic acid;(2R)-2-[(carboxyacetyl)amino]-3-(1H-indol-3-yl)propanoic acid;C03414;CHEBI:15874;Indole-3-acetyl-D-aspartic acid;DTXSID00331462;AC5881;AKOS027256928;CS-0450941;Q27098275;(R)-3-((1-carboxy-2-(1H-indol-3-yl)ethyl)amino)-3-oxopropanoic acid

Chemical Property of N(2)-malonyl-D-tryptophan

Chemical Property:

• PSA: 122.98000
• LogP: 1.59480
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 290.09027155
• Heavy Atom Count: 21
• Complexity: 426

Purity/Quality:

98.5% ^*data from raw suppliers

N-(2-Carboxyacetyl)-D-tryptophan 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CC(=O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)NC(=O)CC(=O)O