(3R,4S)-4-Phenylpyrrolidine-3-carboxylic acid (652971-46-5)

The (3R,4S)-4-Phenylpyrrolidine-3-carboxylic acid, with the CAS registry number 652971-46-5, is also known as 3-Pyrrolidinecarboxylic acid, 4-phenyl-, (3R,4S)-. This chemical's molecular formula is C₁₁H₁₃NO₂ and molecular weight is 191.23. Its systematic name is called 3-pyrrolidinecarboxylic acid, 4-phenyl-, (3R,4S)-.

Physical properties of (3R,4S)-4-Phenylpyrrolidine-3-carboxylic acid: (1)ACD/LogP: 1.12 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.562; (10)Molar Refractivity: 52.34 cm³; (11)Molar Volume: 161.1 cm³; (12)Surface Tension: 46.4 dyne/cm; (13)Density: 1.186 g/cm³; (14)Flash Point: 179.3 °C; (15)Enthalpy of Vaporization: 65.4 kJ/mol; (16)Boiling Point: 372.8 °C at 760 mmHg; (17)Vapour Pressure: 3.22E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
SMILES: c1ccc(cc1)[C@H]2CNC[C@@H]2C(=O)O
InChI: InChI=1/C11H13NO2/c13-11(14)10-7-12-6-9(10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9-,10+/m1/s1
InChIKey: XTJDGOQYFKHEJR-ZJUUUORDBE