3-[(2S)-2-Amino-3-Hydroxy-2-Methyl-3-Oxopropyl]Benzoic Acid
[CAS# 171031-50-8]

Identification

• Name: 3-[(2S)-2-Amino-3-Hydroxy-2-Methyl-3-Oxopropyl]Benzoic Acid
• Synonyms: 3-[(2S)-2-Amino-3-Hydroxy-2-Methyl-3-Oxo-Propyl]Benzoic Acid; 3-[(2S)-2-Amino-3-Hydroxy-3-Keto-2-Methyl-Propyl]Benzoic Acid; 3-Carboxy-Alpha-Methyl-L-Phenylalanine
• Molecular Formula: C₁₁H₁₃NO₄
• Molecular Weight: 223.23
• CAS Registry Number: 171031-50-8
• SMILES: [C@](CC1=CC(=CC=C1)C(O)=O)(C(O)=O)(C)N
• InChI: 1S/C11H13NO4/c1-11(12,10(15)16)6-7-3-2-4-8(5-7)9(13)14/h2-5H,6,12H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1
• InChIKey: AORMNQRMXYXXJK-NSHDSACASA-N

Properties

• Density: 1.344g/cm³ (Cal.)
• Boiling point: 441.701°C at 760 mmHg (Cal.)
• Flash point: 220.933°C (Cal.)