Benzenepropanoic acid, b-amino-4-nitro-, (bS)- (501030-96-2)

The (S)-3-Amino-3-(4-nitrophenyl)propionic acid, with cas registry number 501030-96-2, has the systematic name of (3S)-3-amino-3-(4-nitrophenyl)propanoic acid. And it is also called Benzenepropanoic acid, β-amino-4-nitro-, (betaS)-.

Physical properties about this chemical are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.85; (4)ACD/LogD (pH 7.4): -1.89; (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: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 75.36 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 52.08 cm³; (15)Molar Volume: 149.6 cm³; (16)Polarizability: 20.64×10^-24cm³; (17)Surface Tension: 67.3 dyne/cm; (18)Enthalpy of Vaporization: 69.87 kJ/mol; (19)Vapour Pressure: 1.81E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: [O-][N+](=O)c1ccc(cc1)[C@@H](N)CC(=O)O
(2)InChI: InChI=1/C9H10N2O4/c10-8(5-9(12)13)6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
(3)InChIKey: JVQPVKJZKRICRR-QMMMGPOBBV
(4)Std. InChI: InChI=1S/C9H10N2O4/c10-8(5-9(12)13)6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
(5)Std. InChIKey: JVQPVKJZKRICRR-QMMMGPOBSA-N