1-Methyl-D-tryptophan

The 1-Methyl-D-tryptophan, with the CAS registry number 110117-83-4, is also known as D-(+)-1-Methyltryptophan. It belongs to the product categories of Amino Acid Derivatives; Peptide Synthesis; Tryptophan. This chemical's molecular formula is C₁₂H₁₄N₂O₂ and molecular weight is 218.25. What's more, its IUPAC name is (2R)-2-amino-3-(1-methylindol-3-yl)propanoic acid. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from strong oxides.

Physical properties of 1-Methyl-D-tryptophan are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 34.47 Å²; (9)Index of Refraction: 1.625; (10)Molar Refractivity: 60.13 cm³; (11)Molar Volume: 170 cm³; (12)Surface Tension: 50.4 dyne/cm; (13)Density: 1.28 g/cm³; (14)Flash Point: 213.4 °C; (15)Enthalpy of Vaporization: 72.16 kJ/mol; (16)Boiling Point: 429.3 °C at 760 mmHg; (17)Vapour Pressure: 3.92E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C=C(C2=CC=CC=C21)CC(C(=O)O)N
(2)Isomeric SMILES: CN1C=C(C2=CC=CC=C21)C[C@H](C(=O)O)N
(3)InChI: InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1
(4)InChIKey: ZADWXFSZEAPBJS-SNVBAGLBSA-N