Fmoc-N-methyl-L-valine

The IUPAC name of Fmoc-N-methyl-L-valine is (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoic acid. With the CAS registry number 84000-11-3, it is also named as N-(9-Fluorenylmethyloxycarbonyl)-N-methyl-L-valine. The product's categories are Amino Acids; Valine [Val, V]; N-Methyl Amino Acids; Fmoc-Amino Acid Series. In addition, its molecular formula is C₂₁H₂₃NO₄ and its molecular weight is 353.41. This chemical is white powder which should be stored at 2-8 °C. Moreover, when you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.

The other characteristics of Fmoc-N-methyl-L-valine can be summarized as: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 33.28; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 117.07; (8)ACD/KOC (pH 7.4): 3.45; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 97.89 cm³; (15)Molar Volume: 291 cm³; (16)Polarizability: 38.8×10^-24cm³; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.214 g/cm³; (19)Flash Point: 272.9 °C; (20)Melting point: 187-190 °C; (21)alpha: -68 °(c=1% in DMF); (22)Enthalpy of Vaporization: 84.45 kJ/mol; (23)Boiling Point: 527.6 °C at 760 mmHg; (24)Vapour Pressure: 5.83E-12 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@H](N(C(=O)OCC3c1ccccc1c2c3cccc2)C)C(C)C
(2)InChI: InChI=1/C21H23NO4/c1-13(2)19(20(23)24)22(3)21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,12H2,1-3H3,(H,23,24)/t19-/m0/s1
(3)InChIKey: YCXXXPZNQXXRIG-IBGZPJMEBJ
(4)Std. InChI: InChI=1S/C21H23NO4/c1-13(2)19(20(23)24)22(3)21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,12H2,1-3H3,(H,23,24)/t19-/m0/s1
(5)Std. InChIKey: YCXXXPZNQXXRIG-IBGZPJMESA-N