methyl 2-amino-3-ethylpentanoate

• ChemBase ID: 284000
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: C(=O)(C(N)C(CC)CC)OC
• Canonical SMILES: CCC(C(C(=O)OC)N)CC
• InChI: InChI=1S/C8H17NO2/c1-4-6(5-2)7(9)8(10)11-3/h6-7H,4-5,9H2,1-3H3
• InChIKey: FIIIVUQDQKWIKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-3-ethylpentanoate
• IUPAC Traditional name: methyl 2-amino-3-ethylpentanoate
• Synonyms: methyl 2-amino-3-ethylpentanoate

Database IDs

• MDL Number: MFCD14624401
• PubChem SID: 180669531
• PubChem CID: 54595830

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5880954
• LogD (pH = 7.4): 1.0108008
• Log P: 1.3438153
• Molar Refractivity: 43.464 cm^3
• Polarizability: 17.757055 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.547

Product Information

• Purity: 95%