(2S)-2-[(4-Aminobenzoyl)Amino]Pentanedioic Acid
[CAS# 76567-21-0]

Identification

• Name: (2S)-2-[(4-Aminobenzoyl)Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[(4-Aminophenyl)-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[(4-Aminobenzoyl)Amino]Glutaric Acid; (2S)-2-[(4-Aminophenyl)Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₁₂H₁₄N₂O₅
• Molecular Weight: 266.25
• CAS Registry Number: 76567-21-0
• SMILES: [C@@H](NC(=O)C1=CC=C(N)C=C1)(C(=O)O)CCC(=O)O
• InChI: 1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1
• InChIKey: GADGMZDHLQLZRI-VIFPVBQESA-N

Properties

• Density: 1.418g/cm³ (Cal.)
• Boiling point: 607.078°C at 760 mmHg (Cal.)
• Flash point: 320.95°C (Cal.)

References

• (1): Kwon et al.. A domino effect in antifolate drug action in Escherichia coli, Nature Chemical Biology, 2008