methyl 2-{[2-oxo-2-(piperidin-1-yl)ethyl]amino}acetate

• ChemBase ID: 248727
• Molecular Formular: C10H18N2O3
• Molecular Mass: 214.26152
• Monoisotopic Mass: 214.13174245
• SMILES: N1(C(=O)CNCC(=O)OC)CCCCC1
• Canonical SMILES: COC(=O)CNCC(=O)N1CCCCC1
• InChI: InChI=1S/C10H18N2O3/c1-15-10(14)8-11-7-9(13)12-5-3-2-4-6-12/h11H,2-8H2,1H3
• InChIKey: ATYJMAYGYHITHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-{[2-oxo-2-(piperidin-1-yl)ethyl]amino}acetate
• IUPAC Traditional name: methyl 2-{[2-oxo-2-(piperidin-1-yl)ethyl]amino}acetate
• Synonyms: methyl 2-{[2-oxo-2-(piperidin-1-yl)ethyl]amino}acetate

Database IDs

• MDL Number: MFCD11150569
• PubChem SID: 164304637
• PubChem CID: 28567201

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7396488
• LogD (pH = 7.4): -0.6023071
• Log P: -0.60024214
• Molar Refractivity: 55.3893 cm^3
• Polarizability: 21.962282 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.191

Product Information

• Purity: 95%