N-Acetyl-L-glutamic acid

1. Introduction of N-Acetyl-L-glutamic acid

N-Acetyl-L-glutamic acid, with the IUPAC name of (2S)-2-Acetamidopentanedioic acid, is one kind of white powder. It belongs to the product categories of Amino Acid Derivatives; Glutamic Acid [Glu, E]; Ac-Amino Acids; Amino Acids; Amino Acids (N-Protected); Biochemistry; Amino Acid Derivatives; Glutamic Acid; Peptide Synthesis. Its EINECS registry number is 214-708-4. When you are dealing with this chemical, you should avoid contacting with skin and eyes. It is used as pharmaceutical intermediate, biochemical reagent and chiral selectors.

2. Properties of N-Acetyl-L-glutamic acid

Physical properties about N-Acetyl-L-glutamic acid are: (1)ACD/LogP: -2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.37; (4)ACD/LogD (pH 7.4): -6.98; (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: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 72.91 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 41.19 cm³; (15)Molar Volume: 139.6 cm³; (16)Surface Tension: 57.5 dyne/cm; (17)Density: 1.354 g/cm³; (18)Flash Point: 253.7 °C; (19)Enthalpy of Vaporization: 83.6 kJ/mol; (20)Boiling Point: 495.9 °C at 760 mmHg; (21)Vapour Pressure: 3.48E-11 mmHg at 25 °C.

3. Structure Descriptors of N-Acetyl-L-glutamic acid

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@H](C(=O)O)CCC(=O)O)C
(2) InChI: InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
(3) InChIKey: RFMMMVDNIPUKGG-YFKPBYRVSA-N

4. Toxicity of N-Acetyl-L-glutamic acid

The toxicity data is as follows: