Benzenepropanoic acid, b-(acetylamino)-4-methoxy-, methylester, (bS)- (434957-82-1)

This chemical is called Methyl (S)-3-acetamido-3-(4-methoxyphenyl)propanoate, and its systematic name is benzenepropanoic acid, β-(acetylamino)-4-methoxy-, methyl ester, (betaS)-. With the molecular formula of C₁₃H₁₇NO₄, its molecular weight is 251.28. The CAS registry number of this chemical is 434957-82-1, and its product categories are API Intermediates.

Other characteristics of the Methyl (S)-3-acetamido-3-(4-methoxyphenyl)propanoate can be summarised as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.84; (6)ACD/BCF (pH 7.4): 2.84; (7)ACD/KOC (pH 5.5): 73.55; (8)ACD/KOC (pH 7.4): 73.55; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 64.63 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 66.41 cm³; (15)Molar Volume: 222.4 cm³; (16)Polarizability: 26.32×10^-24cm³; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.129 g/cm³; (19)Flash Point: 220.1 °C; (20)Enthalpy of Vaporization: 69.74 kJ/mol; (21)Boiling Point: 440.3 °C at 760 mmHg; (22)Vapour Pressure: 5.97E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CC(=O)N[C@@H](CC(=O)OC)c1ccc(cc1)OC
2.InChI: InChI=1/C13H17NO4/c1-9(15)14-12(8-13(16)18-3)10-4-6-11(17-2)7-5-10/h4-7,12H,8H2,1-3H3,(H,14,15)/t12-/m0/s1
3.InChIKey: HPOHGSFWIOTIFP-LBPRGKRZBX
4.Std. InChI: InChI=1S/C13H17NO4/c1-9(15)14-12(8-13(16)18-3)10-4-6-11(17-2)7-5-10/h4-7,12H,8H2,1-3H3,(H,14,15)/t12-/m0/s1
5.Std. InChIKey: HPOHGSFWIOTIFP-LBPRGKRZSA-N