Benzenepropanoic acid, b-amino-4-(1-methylethoxy)- (311321-19-4)

The IUPAC name of 3-Amino-3-(4-isopropoxyphenyl)propanoic acid is 3-amino-3-(4-propan-2-yloxyphenyl)propanoic acid. With the CAS registry number 311321-19-4, it is also named as Benzenepropanoic acid, b-amino-4-(1-methylethoxy)-. The product's molecular formula is C₁₂H₁₇NO₃ and its molecular weight is 223.27. 

The other characteristics of 3-Amino-3-(4-isopropoxyphenyl)propanoic acid can be summarized as: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.8; (4)ACD/LogD (pH 7.4): -0.79; (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: 3; (11)Freely Rotating Bonds: 6; (12)XLogP3: -0.6; (13)Rotatable Bond Count: 5; (14)Exact Mass: 223.120843; (15)MonoIsotopic Mass: 223.120843; (16)Heavy Atom Count: 16; (17)Complexity: 222; (18)Polar Surface Area: 38.77 Å²; (19)Index of Refraction: 1.542; (20)Molar Refractivity: 61.44 cm³; (21)Molar Volume: 195.2 cm³; (22)Polarizability: 24.35×10^-24cm³; (23)Surface Tension: 45.4 dyne/cm; (24)Density: 1.143 g/cm³; (25)Flash Point: 179.3 °C; (26)Enthalpy of Vaporization: 65.41 kJ/mol; (27)Boiling Point: 372.8 °C at 760 mmHg; (28)Vapour Pressure: 3.22E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:O=C(O)CC(c1ccc(OC(C)C)cc1)N
InChI:InChI=1/C12H17NO3/c1-8(2)16-10-5-3-9(4-6-10)11(13)7-12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H,14,15)
InChIKey:GQJOHIGVBBGCRS-UHFFFAOYAR
Std. InChI:InChI=1S/C12H17NO3/c1-8(2)16-10-5-3-9(4-6-10)11(13)7-12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H,14,15)
Std. InChIKey:GQJOHIGVBBGCRS-UHFFFAOYSA-N