tert-butyl 2-(methylamino)acetate

• ChemBase ID: 267256
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C(=O)(OC(C)(C)C)CNC
• Canonical SMILES: CNCC(=O)OC(C)(C)C
• InChI: InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)5-8-4/h8H,5H2,1-4H3
• InChIKey: MYKMOIQAHCMLIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-(methylamino)acetate
• IUPAC Traditional name: tert-butyl 2-(methylamino)acetate
• Synonyms: tert-butyl 2-(methylamino)acetate

Database IDs

• MDL Number: MFCD05864597
• PubChem SID: 164323166
• PubChem CID: 5069406

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.50677437
• LogD (pH = 7.4): 0.4390548
• Log P: 0.48495853
• Molar Refractivity: 39.3527 cm^3
• Polarizability: 15.9186325 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.83

Product Information

• Purity: 95%