(S)-N-(Ethoxycarbonyl)-alpha-methyl-D-tryptophan Methyl Ester

Base Information

• Chemical Name: (S)-N-(Ethoxycarbonyl)-alpha-methyl-D-tryptophan Methyl Ester
• CAS No.: 170458-98-7
• Molecular Formula: C16H19N2O4
• Molecular Weight: 303.33306
• DSSTox Substance ID: DTXSID20439378
• Wikidata: Q82255317
• Mol file: 170458-98-7.mol

Synonyms:170458-98-7;(S)-N-(Ethoxycarbonyl)-alpha-methyl-D-tryptophan Methyl Ester;methyl (2R)-2-(ethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoate;(R)-Methyl 2-((ethoxycarbonyl)amino)-3-(1H-indol-3-yl)-2-methylpropanoate;N-(Ethoxycarbonyl)-|A-methyl-D-tryptophan Methyl Ester;DTXSID20439378;XFVTYJZJZLTYAQ-MRXNPFEDSA-N;J-010624;Methyl N-(ethoxycarbonyl)-alpha-methyl-D-tryptophanate;(R)-Methyl2-((ethoxycarbonyl)amino)-3-(1H-indol-3-yl)-2-methylpropanoate;METHYL (2R)-2-[(ETHOXYCARBONYL)AMINO]-3-(1H-INDOL-3-YL)-2-METHYLPROPANOATE

Chemical Property of (S)-N-(Ethoxycarbonyl)-alpha-methyl-D-tryptophan Methyl Ester

Chemical Property:

• Boiling Point: 502.9±45.0 °C(Predicted)
• PKA: 10.70±0.46(Predicted)
• PSA: 83.91000
• Density: 1.219±0.06 g/cm3(Predicted)
• LogP: 2.59260
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 304.14230712
• Heavy Atom Count: 22
• Complexity: 415

Purity/Quality:

95% ^*data from raw suppliers

N-(Ethoxycarbonyl)-α-methyl-D-tryptophanMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC(C)(CC1=CNC2=CC=CC=C21)C(=O)OC
• Isomeric SMILES: CCOC(=O)N[C@](C)(CC1=CNC2=CC=CC=C21)C(=O)OC
• Uses: N-(Ethoxycarbonyl)-α-methyl-D-tryptophan Methyl Ester is an intermediate in the preparation of α-Methyl-D-tryptophan (M331985).