methyl 2-[(2-methylpropyl)amino]acetate

• ChemBase ID: 237476
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C(=O)(OC)CNCC(C)C
• Canonical SMILES: COC(=O)CNCC(C)C
• InChI: InChI=1S/C7H15NO2/c1-6(2)4-8-5-7(9)10-3/h6,8H,4-5H2,1-3H3
• InChIKey: PHSQMNIJNHEJNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(2-methylpropyl)amino]acetate
• IUPAC Traditional name: methyl 2-[(2-methylpropyl)amino]acetate
• Synonyms: methyl 2-[(2-methylpropyl)amino]acetate

Database IDs

• MDL Number: MFCD11140524
• PubChem SID: 164293386
• PubChem CID: 22175789

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.67939353
• LogD (pH = 7.4): 0.56955785
• Log P: 0.6753021
• Molar Refractivity: 39.2913 cm^3
• Polarizability: 15.9186325 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.05

Product Information

• Purity: 95%