ethyl 3-amino-4-methylpentanoate

• ChemBase ID: 307213
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: C(C(=O)OCC)C(N)C(C)C
• Canonical SMILES: CCOC(=O)CC(C(C)C)N
• InChI: InChI=1S/C8H17NO2/c1-4-11-8(10)5-7(9)6(2)3/h6-7H,4-5,9H2,1-3H3
• InChIKey: UEXXWHOBPJEQJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-amino-4-methylpentanoate
• IUPAC Traditional name: ethyl 3-amino-4-methylpentanoate
• Synonyms: ethyl 3-amino-4-methylpentanoate

Database IDs

• CAS Number: 80914-30-3
• MDL Number: MFCD03839197

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0998998
• LogD (pH = 7.4): -1.233693
• Log P: 0.89630944
• Molar Refractivity: 43.6349 cm^3
• Polarizability: 17.757055 Å^3
• Polar Surface Area: 52.32 Å^2