3-CARBOXYMETHYL-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER

The 3-Morpholineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]- is an organic compound with the formula C₁₁H₁₉NO₅. The IUPAC name of this chemical is 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid. With the CAS registry number 859155-89-8, it is also named as [4-(tert-Butoxycarbonyl)morpholin-3-yl]acetic acid. The product's categories are Heterocycles Series; Pharmacetical.

The other characteristics of 3-Morpholineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]- can be summarized as: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 76.07 Å²; (11)Index of Refraction: 1.482; (12)Molar Refractivity: 59.325 cm³; (13)Molar Volume: 207.938 cm³; (14)Polarizability: 23.518×10^-24 cm³; (15)Surface Tension: 42.093 dyne/cm; (16)Enthalpy of Vaporization: 69.972 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C; (18)Rotatable Bond Count: 4; (19)Exact Mass: 245.126323; (20)MonoIsotopic Mass: 245.126323; (21)Topological Polar Surface Area: 76.1; (22)Heavy Atom Count: 17; (23)Complexity: 297.

People can use the following data to convert to the molecule structure.
1. SMILES:CC(C)(C)OC(=O)N1CCOCC1CC(=O)O
2. InChI:InChI=1/C11H19NO5/c1-11(2,3)17-10(15)12-4-5-16-7-8(12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14) 
3. InChIKey:QVOPNRRQHPWQMF-UHFFFAOYAL
4. Std. InChI:InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-4-5-16-7-8(12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14) 
5. Std. InChIKey:QVOPNRRQHPWQMF-UHFFFAOYSA-N