tert-butyl 2-(phenylamino)acetate

• ChemBase ID: 279146
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: C(=O)(OC(C)(C)C)CNc1ccccc1
• Canonical SMILES: O=C(OC(C)(C)C)CNc1ccccc1
• InChI: InChI=1S/C12H17NO2/c1-12(2,3)15-11(14)9-13-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3
• InChIKey: MYBNTSLQHDGJFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-(phenylamino)acetate
• IUPAC Traditional name: tert-butyl 2-(phenylamino)acetate
• Synonyms: tert-butyl 2-(phenylamino)acetate

Database IDs

• MDL Number: MFCD11848799
• PubChem SID: 164335056
• PubChem CID: 12433731

CALCULATED PROPERTIES

• Molar Refractivity: 60.9111 cm^3
• Polarizability: 23.280954 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 16.420721
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1237054
• LogD (pH = 7.4): 2.123859
• Log P: 2.123861

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.631

Product Information

• Purity: 95%