(3S,4R)-4-(4-Methoxyphenyl)pyrrolidine-3-carboxylic acid (1049978-93-9)

The (3S,4R)-4-(4-Methoxyphenyl)pyrrolidine-3-carboxylic acid with the CAS number 1049978-93-9 is also called 3-Pyrrolidinecarboxylicacid, 4-(4-methoxyphenyl)-, (3S,4R)-. Its molecular formula is C₁₂H₁₅NO₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the (3S,4R)-4-(4-Methoxyphenyl)pyrrolidine-3-carboxylic acid are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.47; (4)ACD/LogD (pH 7.4): -1.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 59.02 cm³; (15)Molar Volume: 185.1 cm³; (16)Polarizability: 23.39×10^-24cm³; (17)Surface Tension: 44.9 dyne/cm; (18)Enthalpy of Vaporization: 69.79 kJ/mol; (19)Vapour Pressure: 1.91×10^-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]2[C@H](c1ccc(OC)cc1)CNC2
(2)InChI: InChI=1/C12H15NO3/c1-16-9-4-2-8(3-5-9)10-6-13-7-11(10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11+/m0/s1
(3)InChIKey: FQHFMERRNRYSDS-WDEREUQCBE