(2S)-2-[(5-Ethyl-8-Oxo[1,3]Dioxolo[4,5-g]Quinoline-7-Carbonyl)Amino]Propanoic Acid
[CAS# 79721-05-4]

Identification

• Name: (2S)-2-[(5-Ethyl-8-Oxo[1,3]Dioxolo[4,5-g]Quinoline-7-Carbonyl)Amino]Propanoic Acid
• Synonyms: (2S)-2-[(5-Ethyl-8-Oxo-[1,3]Dioxolo[4,5-G]Quinoline-7-Carbonyl)Amino]Propanoic Acid; (2S)-2-[[(5-Ethyl-8-Oxo-[1,3]Dioxolo[4,5-G]Quinolin-7-Yl)-Oxomethyl]Amino]Propanoic Acid; (2S)-2-[(5-Ethyl-8-Keto-[1,3]Dioxolo[4,5-G]Quinoline-7-Carbonyl)Amino]Propionic Acid
• Molecular Formula: C₁₆H₁₆N₂O₆
• Molecular Weight: 332.31
• CAS Registry Number: 79721-05-4
• SMILES: [C@H](C(=O)O)(NC(=O)C1=CN(C2=C(C1=O)C=C3C(=C2)OCO3)CC)C
• InChI: 1S/C16H16N2O6/c1-3-18-6-10(15(20)17-8(2)16(21)22)14(19)9-4-12-13(5-11(9)18)24-7-23-12/h4-6,8H,3,7H2,1-2H3,(H,17,20)(H,21,22)/t8-/m0/s1
• InChIKey: QVLZAVLZSWYWGD-QMMMGPOBSA-N

Properties

• Density: 1.433g/cm³ (Cal.)
• Boiling point: 637.363°C at 760 mmHg (Cal.)
• Flash point: 339.265°C (Cal.)