2-amino-4-methoxybutanamide hydrochloride

• ChemBase ID: 247267
• Molecular Formular: C5H13ClN2O2
• Molecular Mass: 168.62192
• Monoisotopic Mass: 168.06655535
• SMILES: C(=O)(C(N)CCOC)N.Cl
• Canonical SMILES: COCCC(C(=O)N)N.Cl
• InChI: InChI=1S/C5H12N2O2.ClH/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H2,7,8);1H
• InChIKey: YCXVZLNOFRCJQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-methoxybutanamide hydrochloride
• IUPAC Traditional name: 2-amino-4-methoxybutanamide hydrochloride
• Synonyms: 2-amino-4-methoxybutanamide hydrochloride

Database IDs

• PubChem SID: 164303177
• PubChem CID: 17974232

CALCULATED PROPERTIES

• Acid pKa: 16.255396
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.378492
• LogD (pH = 7.4): -2.7483304
• Log P: -1.7294776
• Molar Refractivity: 33.4798 cm^3
• Polarizability: 13.404116 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.304

Product Information

• Purity: 95%