ethyl 2-amino-4-(tert-butoxy)butanoate

• ChemBase ID: 247465
• Molecular Formular: C10H21NO3
• Molecular Mass: 203.27864
• Monoisotopic Mass: 203.15214354
• SMILES: C(=O)(C(N)CCOC(C)(C)C)OCC
• Canonical SMILES: CCOC(=O)C(CCOC(C)(C)C)N
• InChI: InChI=1S/C10H21NO3/c1-5-13-9(12)8(11)6-7-14-10(2,3)4/h8H,5-7,11H2,1-4H3
• InChIKey: DEOFTTGTTLMCOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-amino-4-(tert-butoxy)butanoate
• IUPAC Traditional name: ethyl 2-amino-4-(tert-butoxy)butanoate
• Synonyms: ethyl 2-amino-4-(tert-butoxy)butanoate

Database IDs

• MDL Number: MFCD17280695
• PubChem SID: 164303375
• PubChem CID: 63038885

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1761187
• LogD (pH = 7.4): 0.36690298
• Log P: 0.6341266
• Molar Refractivity: 54.9809 cm^3
• Polarizability: 22.141436 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.445

Product Information

• Purity: 95%