2-methyl-2-(morpholin-4-yl)propanoic acid hydrochloride

• ChemBase ID: 267811
• Molecular Formular: C8H16ClNO3
• Molecular Mass: 209.67054
• Monoisotopic Mass: 209.08187106
• SMILES: C(N1CCOCC1)(C(=O)O)(C)C.Cl
• Canonical SMILES: OC(=O)C(N1CCOCC1)(C)C.Cl
• InChI: InChI=1S/C8H15NO3.ClH/c1-8(2,7(10)11)9-3-5-12-6-4-9;/h3-6H2,1-2H3,(H,10,11);1H
• InChIKey: ZKCDVFRMCJGPSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(morpholin-4-yl)propanoic acid hydrochloride
• IUPAC Traditional name: 2-methyl-2-(morpholin-4-yl)propanoic acid hydrochloride
• Synonyms: 2-methyl-2-(morpholin-4-yl)propanoic acid hydrochloride

Database IDs

• MDL Number: MFCD16622041
• PubChem SID: 164323721
• PubChem CID: 47003124

CALCULATED PROPERTIES

• Acid pKa: 3.147502
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9505146
• LogD (pH = 7.4): -2.4198115
• Log P: -1.9454272
• Molar Refractivity: 44.3544 cm^3
• Polarizability: 17.513292 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.892

Product Information

• Purity: 95%