2-Furanacetic acid, a-[[(phenylmethoxy)carbonyl]amino]- (61886-78-0)

The Cbz-2-amino-2-furanacetic acid, with the CAS registry number 61886-78-0, belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₄H₁₃NO₅ and formula weight is 275.26. What's more, both its IUPAC name and systematic name are the same which is called 2-(Furan-2-yl)-2-(phenylmethoxycarbonylamino)acetic acid.

Physical properties about this chemical are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -1.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.57; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 68.98 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 68.79 cm³; (15)Molar Volume: 206.4 cm³; (16)Surface Tension: 55.2 dyne/cm; (17)Density: 1.333 g/cm³; (18)Flash Point: 229 °C; (19)Enthalpy of Vaporization: 75.32 kJ/mol; (20)Boiling Point: 455.1 °C at 760 mmHg; (21)Vapour Pressure: 4.49E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC(=O)NC(C2=CC=CO2)C(=O)O
(2)InChI: InChI=1S/C14H13NO5/c16-13(17)12(11-7-4-8-19-11)15-14(18)20-9-10-5-2-1-3-6-10/h1-8,12H,9H2,(H,15,18)(H,16,17)
(3)InChIKey: JKQGTYDVJBARBW-UHFFFAOYSA-N