(2S,3S,4S)-3-(Carboxymethyl)-4-(6-Oxo-1H-Pyridin-3-Yl)Pyrrolidine-2-Carboxylic Acid
[CAS# 133740-47-3]

Identification

• Name: (2S,3S,4S)-3-(Carboxymethyl)-4-(6-Oxo-1H-Pyridin-3-Yl)Pyrrolidine-2-Carboxylic Acid
• Synonyms: (2S,3S,4S)-3-(Carboxymethyl)-4-(6-Oxo-1H-Pyridin-3-Yl)-2-Pyrrolidinecarboxylic Acid; (2S,3S,4S)-3-(Carboxymethyl)-4-(6-Keto-1H-Pyridin-3-Yl)Proline
• Molecular Formula: C₁₂H₁₄N₂O₅
• Molecular Weight: 266.25
• CAS Registry Number: 133740-47-3
• SMILES: [C@H]1([C@H](NC[C@@H]1C2=CNC(C=C2)=O)C(=O)O)CC(=O)O
• InChI: 1S/C12H14N2O5/c15-9-2-1-6(4-13-9)8-5-14-11(12(18)19)7(8)3-10(16)17/h1-2,4,7-8,11,14H,3,5H2,(H,13,15)(H,16,17)(H,18,19)/t7-,8+,11-/m0/s1
• InChIKey: IZOVOLIVYUHJAA-RNSXUZJQSA-N

Properties

• Density: 1.428g/cm³ (Cal.)
• Boiling point: 665.94°C at 760 mmHg (Cal.)
• Flash point: 356.548°C (Cal.)