Glycine, N-methyl-,N-coco acyl derivs., sodium salts (61791-59-1)

The Glycine, N-methyl-,N-coco acyl derivs., sodium salts, with the cas registry number 61791-59-1, has the IUPAC name of sodium 2-(methylamino)acetate.

The physical properties of this chemical are as follows: (1)ACD/LogP: -0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.29; (4)ACD/LogD (pH 7.4): -3.29; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.54; (13)Exact Mass: 111.029623; (14)MonoIsotopic Mass: 111.029623; (15)Topological Polar Surface Area: 52.2; (16)Heavy Atom Count: 7; (17)Formal Charge: 0; (18)Complexity: 56.9.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CNCC(=O)[O-].[Na+]
(2)InChI: InChI=1S/C3H7NO2.Na/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);/q;+1/p-1
(3)InChIKey: ZUFONQSOSYEWCN-UHFFFAOYSA-M