3-(1H-Indol-3-yl)-2-[(5-methyl-furan-2-carbonyl)-amino]-propionic acid

Base Information

• Chemical Name: 3-(1H-Indol-3-yl)-2-[(5-methyl-furan-2-carbonyl)-amino]-propionic acid
• CAS No.: 360573-13-3
• Molecular Formula: C17H15N2O4
• Molecular Weight: 311.3125
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60389444
• ChEMBL ID: CHEMBL1726977
• Mol file: 360573-13-3.mol

Synonyms:360573-13-3;3-(1H-Indol-3-yl)-2-[(5-methyl-furan-2-carbonyl)-amino]-propionic acid;3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoic acid;3-(1H-Indol-3-yl)-2-(5-methylfuran-2-carboxamido)propanoic acid;MLS000109737;L-Tryptophan,N-[(5-methyl-2-furanyl)carbonyl]-;CBMicro_007192;Oprea1_051084;Oprea1_835817;CHEMBL1726977;DTXSID60389444;HMS2291O20;SMSF0012260;3-(1H-indol-3-yl)-2-[(5-methylfuran-2-yl)formamido]propanoic acid;STK676672;(5-Methylfuran-2-carbonyl)tryptophan;AKOS000301189;AKOS024285140;CB09929;WAY-298451;NCGC00077401-02;SMR000105676;BIM-0007298.P001;CS-0281139;N-[(5-methylfuran-2-yl)carbonyl]tryptophan;SR-01000530436;SR-01000530436-1;Z85882099;3-(1H-Indol-3-yl)-2-(5-methylfuran-2-carboxamido)propanoicacid;3-(1H-indol-3-yl)-2-{[(5-methyl-2-furyl)carbonyl]amino}propanoic acid

Chemical Property of 3-(1H-Indol-3-yl)-2-[(5-methyl-furan-2-carbonyl)-amino]-propionic acid

Chemical Property:

• Vapor Pressure: 2.62E-15mmHg at 25°C
• Boiling Point: 601.3 °C at 760 mmHg
• Flash Point: 317.4 °C
• PSA: 95.33000
• LogP: 2.88590
• XLogP3: 2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 312.11100700
• Heavy Atom Count: 23
• Complexity: 456

Purity/Quality:

98%min ^*data from raw suppliers

3-(1H-Indol-3-yl)-2-[(5-methyl-furan-2-carbonyl)-amino]-propionic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(O1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O