ethyl 2-[(2-methylpropyl)amino]acetate

• ChemBase ID: 257186
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: C(=O)(OCC)CNCC(C)C
• Canonical SMILES: CCOC(=O)CNCC(C)C
• InChI: InChI=1S/C8H17NO2/c1-4-11-8(10)6-9-5-7(2)3/h7,9H,4-6H2,1-3H3
• InChIKey: XJBLZCHTARFLLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(2-methylpropyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(2-methylpropyl)amino]acetate
• Synonyms: ethyl (isobutylamino)acetate

Database IDs

• MDL Number: MFCD11099609
• PubChem SID: 164313096
• PubChem CID: 10877410

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.32215747
• LogD (pH = 7.4): 0.9264637
• Log P: 1.03211
• Molar Refractivity: 44.0399 cm^3
• Polarizability: 17.757055 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.579

Product Information

• Purity: 95%