2-Pyridinepropanoicacid, b-amino-, (bS)- (149196-85-0)

The IUPAC name of (S)-3-Amino-3-(pyridin-2-yl)propanoic acid is (2S)-2-amino-3-pyridin-2-ylpropanoic acid. With the CAS registry number 149196-85-0, it is also named as 2-Pyridinepropanoicacid, b-amino-, (S)-. The product's category is API intermediates. Besides, its molecular formula is C₈H₁₀N₂O₂ and its molecular weight is 166.18. 

The other characteristics of (S)-3-Amino-3-(pyridin-2-yl)propanoic acid can be summarized as: (1) # of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)H bond acceptors: 4; (7)H bond donors: 3; (8)Freely Rotating Bonds: 4; (9)Polar Surface Area: 76.21 Å²; (10)Index of Refraction: 1.58; (11)Molar Refractivity: 43.62 cm³; (12)Molar Volume: 131 cm³; (13)Polarizability: 17.29×10^-24cm³; (14)Surface Tension: 61.7 dyne/cm; (15)Density: 1.268 g/cm³; (16)Flash Point: 149.5 °C; (17)Enthalpy of Vaporization: 59.69 kJ/mol; (18)Boiling Point: 323.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000107 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1ccnc(c1)[C@H](CC(=O)O)N
(2)InChI:InChI=1/C8H10N2O2/c9-6(5-8(11)12)7-3-1-2-4-10-7/h1-4,6H,5,9H2,(H,11,12)/t6-/m0/s1
(3)InChIKey:WCLGSNNEAOFFCL-LURJTMIEBA
(4)Std. InChI:InChI=1S/C8H10N2O2/c9-6(5-8(11)12)7-3-1-2-4-10-7/h1-4,6H,5,9H2,(H,11,12)/t6-/m0/s1
(5)Std. InChIKey:WCLGSNNEAOFFCL-LURJTMIESA-N