3-Pyridinepropanoicacid, a-amino-, (aS)- (64090-98-8)

The CAS register number of L-3-Pyridylalanine is 64090-98-8. It also can be called as (S)-2-Amino-3-(3-pyridyl)propionic acid and the IUPAC name about this chemical is (2S)-2-amino-3-pyridin-3-ylpropanoic acid. The molecular formula about this chemical is C₈H₁₀N₂O₂ and the molecular weight is 166.18. It belongs to the following product categories, such as Glycinescaffold; Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Alanine [Ala, A]; Unusual Amino Acids; Amino hydrochloride; a-amino and so on.

Physical properties about L-3-Pyridylalanine are: (1)ACD/LogP: -0.38; (2)ACD/LogD (pH 5.5): -2.99; (3)ACD/LogD (pH 7.4): -2.91; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 42.43Ų; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 43.58 cm³; (14)Molar Volume: 130.6 cm³; (15)Polarizability: 17.27x10^-24cm³; (16)Surface Tension: 61.5 dyne/cm; (17)Enthalpy of Vaporization: 62.1 kJ/mol; (18)Boiling Point: 344.4 °C at 760 mmHg; (19)Vapour Pressure: 2.51E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](N)Cc1cccnc1
(2)InChI: InChI=1/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m1/s1
(3)InChIKey: DFZVZEMNPGABKO-SSDOTTSWBR
(4)Std. InChI: InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m1/s1
(5)Std. InChIKey: DFZVZEMNPGABKO-SSDOTTSWSA-N