N-(2-Carboxyphenyl)glycine

The Benzoic acid,2-[(carboxymethyl)amino]-, with CAS registry number 612-42-0, belongs to the following product categories: (1)Miscellaneous; (2)Glycine Derivatives; (3)Peptide Synthesis; (4)Unnatural Amino Acid Derivatives. It has the systematic name of 2-[(carboxymethyl)amino]benzoic acid. This chemical is a kind of light yellow to yellow crystalline powder. The main use of this chemical is for organic intermediate.

Physical properties of Benzoic acid,2-[(carboxymethyl)amino]-: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.27; (4)ACD/LogD (pH 7.4): -3.23; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 48.98 cm³; (15)Molar Volume: 132.5 cm³; (16)Polarizability: 19.42×10^-24cm³; (17)Surface Tension: 74.8 dyne/cm; (18)Density: 1.472 g/cm³; (19)Flash Point: 246.9 °C; (20)Enthalpy of Vaporization: 79 kJ/mol; (21)Boiling Point: 484.7 °C at 760 mmHg; (22)Vapour Pressure: 3.31E-10 mmHg at 25°C.

Uses of Benzoic acid,2-[(carboxymethyl)amino]-: it can be used to produce 6a,7,14a,15-tetrahydro-6a,14a-dihydroxypyrazino[1,2-a:4,5-a']bis[3,1]benzoxazine-5,13-dione. This reaction will need reagent (CH₃CO)₂O. The reaction time is 1 hour(s). The yield is about 55%.

When you are using this chemical, please be cautious about it as the following:
The Benzoic acid,2-[(carboxymethyl)amino]- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccccc1NCC(=O)O
(2)InChI: InChI=1/C9H9NO4/c11-8(12)5-10-7-4-2-1-3-6(7)9(13)14/h1-4,10H,5H2,(H,11,12)(H,13,14)
(3)InChIKey: PJUXPMVQAZLJEX-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H9NO4/c11-8(12)5-10-7-4-2-1-3-6(7)9(13)14/h1-4,10H,5H2,(H,11,12)(H,13,14)
(5)Std. InChIKey: PJUXPMVQAZLJEX-UHFFFAOYSA-N