(R)-3-Amino-4-(4-methoxyphenyl)butanoic acid (177839-86-0)

The (R)-3-Amino-4-(4-methoxyphenyl)butanoic acid with the CAS number 177839-86-0 is also called benzenebutanoic acid, β-amino-4-methoxy-, (betaR)-. The systematic name is (3R)-3-amino-4-(4-methoxyphenyl)butanoic acid. Its molecular formula is C₁₁H₁₅NO₃. The product category is API intermediates. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the (R)-3-Amino-4-(4-methoxyphenyl)butanoic acid are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (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)Polar Surface Area: 72.55 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 56.805 cm³; (15)Molar Volume: 177.946 cm³; (16)Polarizability: 22.519×10^-24cm³; (17)Surface Tension: 47.976 dyne/cm; (18)Enthalpy of Vaporization: 65.192 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)CC(CC(=O)O)N
(2)InChI: InChI=1/C11H15NO3/c1-15-10-4-2-8(3-5-10)6-9(12)7-11(13)14/h2-5,9H,6-7,12H2,1H3,(H,13,14)/t9-/m1/s1
(3)InChIKey: GQFFGGKZIKRIFE-SECBINFHBX