2-amino-4-(naphthalen-2-yl)butanoic acid

• ChemBase ID: 809756
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: C(=O)(C(CCc1ccc2c(cccc2)c1)N)O
• Canonical SMILES: OC(=O)C(CCc1ccc2c(c1)cccc2)N
• InChI: InChI=1S/C14H15NO2/c15-13(14(16)17)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-5,7,9,13H,6,8,15H2,(H,16,17)
• InChIKey: DLEUTYGDMYCFQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-(naphthalen-2-yl)butanoic acid
• IUPAC Traditional name: 2-amino-4-(naphthalen-2-yl)butanoic acid
• Synonyms: 2-AMINO-4-NAPHTHALEN-2-YL-BUTYRIC ACID

CALCULATED PROPERTIES

• Acid pKa: 2.5905313
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.24946986
• LogD (pH = 7.4): 0.24682085
• Log P: 0.249688
• Molar Refractivity: 66.1675 cm^3
• Polarizability: 27.266508 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%