Benzenebutanoic acid, b-amino-4-fluoro-, (bS)- (270596-53-7)

The (S)-3-Amino-4-(4-fluorophenyl)butyric acid hydrochloride with cas registry number of 270596-53-7, belongs to the following product categories: (1)3-Amino-4-phenylbutyric Acid Analogs; (2)3-Amino-4-phenylbutanoic Acid Analogs; (3)B-Amino. It has the systematic name of (3S)-3-amino-4-(4-fluorophenyl)butanoic acid hydrochloride.

Physical properties about this chemical are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.12; (4)ACD/LogD (pH 7.4): -1.12; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å²; (13)Enthalpy of Vaporization: 61.01 kJ/mol; (14)Vapour Pressure: 4.86E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C[C@H](N)CC(=O)O.Cl;
(2)InChI: InChI=1/C10H12FNO2.ClH/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m0./s1;
(3)InChIKey: QCJJUEQWIMCTAA-FVGYRXGTBQ;
(4)Std. InChI: InChI=1S/C10H12FNO2.ClH/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m0./s1;
(5)Std. InChIKey: QCJJUEQWIMCTAA-FVGYRXGTSA-N