propan-2-yl 2-(methylamino)propanoate

• ChemBase ID: 238091
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C(=O)(OC(C)C)C(NC)C
• Canonical SMILES: CNC(C(=O)OC(C)C)C
• InChI: InChI=1S/C7H15NO2/c1-5(2)10-7(9)6(3)8-4/h5-6,8H,1-4H3
• InChIKey: AHZBIPPXGFSEJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl 2-(methylamino)propanoate
• IUPAC Traditional name: isopropyl 2-(methylamino)propanoate
• Synonyms: propan-2-yl 2-(methylamino)propanoate

Database IDs

• MDL Number: MFCD16828837
• PubChem SID: 164294001
• PubChem CID: 12417071

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3106112
• LogD (pH = 7.4): 0.71587205
• Log P: 0.7731461
• Molar Refractivity: 39.2084 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): 0.74

Product Information

• Purity: 95%