ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate

• ChemBase ID: 268147
• Molecular Formular: C11H20N2O3
• Molecular Mass: 228.2881
• Monoisotopic Mass: 228.14739251
• SMILES: N1(C(=O)CNC)CC(C(=O)OCC)CCC1
• Canonical SMILES: CCOC(=O)C1CCCN(C1)C(=O)CNC
• InChI: InChI=1S/C11H20N2O3/c1-3-16-11(15)9-5-4-6-13(8-9)10(14)7-12-2/h9,12H,3-8H2,1-2H3
• InChIKey: BUGPWUMFGURMOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate
• IUPAC Traditional name: ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate
• Synonyms: ethyl 1-[2-(methylamino)acetyl]piperidine-3-carboxylate

Database IDs

• MDL Number: MFCD12818667
• PubChem SID: 164324057
• PubChem CID: 47003233

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3186653
• LogD (pH = 7.4): -1.767196
• Log P: -0.34276554
• Molar Refractivity: 60.1392 cm^3
• Polarizability: 23.793913 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.629

Product Information

• Purity: 95%