methyl 2-(tert-butylamino)acetate

• ChemBase ID: 81547
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: N(CC(=O)OC)C(C)(C)C
• Canonical SMILES: COC(=O)CNC(C)(C)C
• InChI: InChI=1S/C7H15NO2/c1-7(2,3)8-5-6(9)10-4/h8H,5H2,1-4H3
• InChIKey: CYEJIYSGYKMEHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(tert-butylamino)acetate
• IUPAC Traditional name: methyl 2-(tert-butylamino)acetate
• Synonyms: methyl 2-(tert-butylamino)acetate

Database IDs

• MDL Number: MFCD00239216
• PubChem SID: 162068666
• PubChem CID: 2777439

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7511647
• LogD (pH = 7.4): 0.40356258
• Log P: 0.48495853
• Molar Refractivity: 39.3527 cm^3
• Polarizability: 15.9186325 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.83

Product Information

• Purity: 95%