methyl 2-amino-2-phenylbutanoate

• ChemBase ID: 271837
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C(C(=O)OC)(c1ccccc1)(N)CC
• Canonical SMILES: CCC(c1ccccc1)(C(=O)OC)N
• InChI: InChI=1S/C11H15NO2/c1-3-11(12,10(13)14-2)9-7-5-4-6-8-9/h4-8H,3,12H2,1-2H3
• InChIKey: URYMDIRNRNJHAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-2-phenylbutanoate
• IUPAC Traditional name: methyl 2-amino-2-phenylbutanoate
• Synonyms: methyl 2-amino-2-phenylbutanoate

Database IDs

• MDL Number: MFCD12151671
• PubChem SID: 164327747
• PubChem CID: 14148299

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3717997
• LogD (pH = 7.4): 1.7394295
• Log P: 1.8901362
• Molar Refractivity: 54.3677 cm^3
• Polarizability: 21.820957 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.615

Product Information

• Purity: 95%