(2S)-2-[(2-Carboxybenzoyl)Amino]Pentanedioic Acid
[CAS# 3227-01-8]

Identification

• Name: (2S)-2-[(2-Carboxybenzoyl)Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[(2-Carboxyphenyl)-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[(2-Carboxybenzoyl)Amino]Glutaric Acid; (2S)-2-[(2-Carboxyphenyl)Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₁₃H₁₃NO₇
• Molecular Weight: 295.25
• CAS Registry Number: 3227-01-8
• SMILES: [C@H](NC(C1=C(C=CC=C1)C(=O)O)=O)(CCC(O)=O)C(=O)O
• InChI: 1S/C13H13NO7/c15-10(16)6-5-9(13(20)21)14-11(17)7-3-1-2-4-8(7)12(18)19/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)(H,20,21)/t9-/m0/s1
• InChIKey: QIWKCQDJZPRXNS-VIFPVBQESA-N

Properties

• Density: 1.491g/cm³ (Cal.)
• Boiling point: 639.892°C at 760 mmHg (Cal.)
• Flash point: 340.794°C (Cal.)