2-Cyclopentene-1-carboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R,4S)-rel- (108999-93-5)

The (1R,4S)-N-Boc-1-aminocyclopent-2-ene-4-carboxylic acid, with the cas registry number 108999-93-5, has its IUPAC Name: (1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1- carboxylic acid. And its product category is including pharmaceutic intermediate.

The physical properties of this chemical are as follows: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 55.84; (7)Index of Refraction: 1.514; (8)Molar Refractivity: 57.96 cm³; (9)Molar Volume: 192.3 cm³; (10)Polarizability: 22.97× 10^-24 cm³; (11)Surface Tension: 44.4 dyne/cm; (12)Density: 1.18 g/cm³; (13)Flash Point: 185 °C; (14)Enthalpy of Vaporization: 69.24 kJ/mol; (15)Boiling Point: 382.3 °C at 760 mmHg; (16)Vapour Pressure: 6.65E-07 mmHg at 25°C; (17)Exact Mass: 227.115758; (18)MonoIsotopic Mass: 227.115758; (19)Topological Polar Surface Area: 75.6; (20)Heavy Atom Count: 16; (21)Formal Charge: 0; (22)Complexity: 316.

When you are dealing with this chemical, please be very cautious. For being a kind of chemical irritating to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC1CC(C=C1)C(=O)O
(2)Isomeric SMILES: CC(C)(C)OC(=O)N[C@H]1C[C@H](C=C1)C(=O)O
(3)InChI: InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h4-5,7-8H,6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1
(4)InChIKey: WOUNTSATDZJBLP-JGVFFNPUSA-N