L-Tyrosine, N-methyl- (537-49-5)

The N-Methyl-L-tyrosine with the CAS number 537-49-5 is also called L-Tyrosine, N-methyl-. The IUPAC name is (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid. Its molecular formula is C₁₀H₁₃NO₃. The EINECS registry number is 208-670-8. This chemical belongs to the following product categories: (1)Amino Acids 13C, 2H, 15N; (2)Amino Acids & Derivatives. It is a tyrosine hydroxylase inhibitor and an antihypertensive in pheochromocytoma.

The properties of the chemical are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.98; (4)ACD/LogD (pH 7.4): -1.99; (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: 5; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 52.06 cm³; (15)Molar Volume: 157.5 cm³; (16)Polarizability: 20.64×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Enthalpy of Vaporization: 66.11 kJ/mol; (19)Vapour Pressure: 2.06×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC)Cc1ccc(O)cc1
(2)InChI: InChI=1/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1
(3)InChIKey: AXDLCFOOGCNDST-VIFPVBQEBW