methyl 2-amino-2-ethylbutanoate

• ChemBase ID: 284222
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C(=O)(C(N)(CC)CC)OC
• Canonical SMILES: COC(=O)C(CC)(CC)N
• InChI: InChI=1S/C7H15NO2/c1-4-7(8,5-2)6(9)10-3/h4-5,8H2,1-3H3
• InChIKey: JATPQYOJRYBVGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12151684
• PubChem SID: 180669753
• PubChem CID: 13412527

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1248727
• LogD (pH = 7.4): 0.548585
• Log P: 1.0449934
• Molar Refractivity: 39.0277 cm^3
• Polarizability: 15.9186325 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.928

Product Information

• Purity: 95%