Butanoic acid,2-amino-3-oxo-, methyl ester (68277-01-0)

The Methyl 2-amino-3-oxobutanoate, with the CAS registry number 68277-01-0, is also known as 2-Amino-3-oxobutanoic acid methyl ester. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C₅H₉NO₃ and formula weight is 131.13. What's more, its systematic name is called Methyl 2-amino-3-oxobutanoate.

Physical properties about this chemical are: (1)ACD/LogP: -0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27; (8)ACD/KOC (pH 7.4): 31; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.39 Å²; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 30.512 cm³; (15)Molar Volume: 115.725 cm³; (16)Surface Tension: 37.982 dyne/cm; (17)Density: 1.133 g/cm³; (18)Melting point 85-86 °C; (19)Flash Point: 51.433 °C; (20)Enthalpy of Vaporization: 40.399 kJ/mol; (21)Boiling Point: 167.537 °C at 760 mmHg; (22)Vapour Pressure: 1.692 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)C(N)C(=O)OC
(2)InChI: InChI=1/C5H9NO3/c1-3(7)4(6)5(8)9-2/h4H,6H2,1-2H3
(3)InChIKey: JJJKPDCCZFMOJD-UHFFFAOYAK