methyl 2-amino-2-(4-methoxyphenyl)propanoate

• ChemBase ID: 279179
• Molecular Formular: C11H15NO3
• Molecular Mass: 209.2417
• Monoisotopic Mass: 209.10519335
• SMILES: C(C(=O)OC)(c1ccc(cc1)OC)(N)C
• Canonical SMILES: COc1ccc(cc1)C(C(=O)OC)(N)C
• InChI: InChI=1S/C11H15NO3/c1-11(12,10(13)15-3)8-4-6-9(14-2)7-5-8/h4-7H,12H2,1-3H3
• InChIKey: BMPGDZRQOZUPKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-2-(4-methoxyphenyl)propanoate
• IUPAC Traditional name: methyl 2-amino-2-(4-methoxyphenyl)propanoate
• Synonyms: methyl 2-amino-2-(4-methoxyphenyl)propanoate

Database IDs

• MDL Number: MFCD12151665
• PubChem SID: 164335089
• PubChem CID: 54595178

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.23368593
• LogD (pH = 7.4): 1.0810497
• Log P: 1.2099426
• Molar Refractivity: 56.3069 cm^3
• Polarizability: 22.499737 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.005

Product Information

• Purity: 95%