2-amino-5-phenylpentanoic acid hydrobromide

• ChemBase ID: 273098
• Molecular Formular: C11H16BrNO2
• Molecular Mass: 274.15424
• Monoisotopic Mass: 273.03644076
• SMILES: C(=O)(C(N)CCCc1ccccc1)O.Br
• Canonical SMILES: OC(=O)C(CCCc1ccccc1)N.Br
• InChI: InChI=1S/C11H15NO2.BrH/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8,12H2,(H,13,14);1H
• InChIKey: FGPFPDOMYWRJSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-phenylpentanoic acid hydrobromide
• IUPAC Traditional name: 2-amino-5-phenylpentanoic acid hydrobromide
• Synonyms: 2-amino-5-phenylpentanoic acid hydrobromide

Database IDs

• MDL Number: MFCD18483264
• PubChem SID: 164329008
• PubChem CID: 54592746

CALCULATED PROPERTIES

• Acid pKa: 2.6727183
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.29536992
• LogD (pH = 7.4): -0.29786178
• Log P: -0.29508677
• Molar Refractivity: 54.3183 cm^3
• Polarizability: 21.49395 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 247 - 249°C
• Hydrophobicity(logP): -0.648

Product Information

• Purity: 95%