DL-Glutamic acid monohydrate (19285-83-7)

The DL-Glutamic acid monohydrate with the CAS number 19285-83-7 is also called glutamic acid, hydrate (1:1). The IUPAC name is 2-aminopentanedioic acid hydrate. Its molecular formula is C₅H₉NO₄^.H₂O. The EINECS registry number is 210-522-2. While using this chemical, you should avoid it contact with skin and eyes.

The properties of the chemical are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 100.62 Å²; (10)Enthalpy of Vaporization: 76.57 kJ/mol; (11)Vapour Pressure: 8.01×10^-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O.O=C(O)CCC(N)C(O)=O
(2)InChI: InChI=1/C5H9NO4.H2O/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H2
(3)InChIKey: OZDAOHVKBFBBMZ-UHFFFAOYAA