Glutamic acid,N-(4-aminobenzoyl)- (4230-33-5)

The N-(4-Aminobenzoyl)-DL-glutamic acid, with the CAS registry number 4230-33-5, is also known as DL-Glutamicacid, N-(4-aminobenzoyl)-. This chemical's molecular formula is C₁₂H₁₄N₂O₅ and molecular weight is 266.25. What's more, its IUPAC name is 2-[(4-Aminobenzoyl)amino]pentanedioic acid and systematic name is called N-(4-Aminobenzoyl)glutamic acid.

Physical properties about N-(4-Aminobenzoyl)-DL-glutamic acid are: (1) ACD/LogP: -0.99; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): -3.97; (4) ACD/LogD (pH 7.4): -5.72; (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: 7; (10) #H bond donors: 5; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 76.15 Å²; (13) Index of Refraction: 1.617; (14) Molar Refractivity: 65.73 cm³; (15) Molar Volume: 187.7 cm³; (16) Surface Tension: 71.7 dyne/cm; (17) Density: 1.418 g/cm³; (18) Flash Point: 320.9 °C; (19) Enthalpy of Vaporization: 94.87 kJ/mol; (20) Boiling Point: 607.1 °C at 760 mmHg; (21) Vapour Pressure: 1.37E-15 mmHg at 25 °C. 

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(N)cc1)NC(C(=O)O)CCC(=O)O
(2) InChI: InChI=1/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)
(3) InChIKey: GADGMZDHLQLZRI-UHFFFAOYAJ