methyl 2-{[2-(morpholin-4-yl)ethyl]amino}acetate

• ChemBase ID: 272534
• Molecular Formular: C9H18N2O3
• Molecular Mass: 202.25082
• Monoisotopic Mass: 202.13174245
• SMILES: N1(CCNCC(=O)OC)CCOCC1
• Canonical SMILES: COC(=O)CNCCN1CCOCC1
• InChI: InChI=1S/C9H18N2O3/c1-13-9(12)8-10-2-3-11-4-6-14-7-5-11/h10H,2-8H2,1H3
• InChIKey: LCXAUDAVNQNHPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-{[2-(morpholin-4-yl)ethyl]amino}acetate
• IUPAC Traditional name: methyl 2-{[2-(morpholin-4-yl)ethyl]amino}acetate
• Synonyms: methyl 2-{[2-(morpholin-4-yl)ethyl]amino}acetate

Database IDs

• MDL Number: MFCD11153682
• PubChem SID: 164328444
• PubChem CID: 28583171

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8024039
• LogD (pH = 7.4): -0.8195409
• Log P: -0.76885706
• Molar Refractivity: 52.6407 cm^3
• Polarizability: 21.116858 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.066

Product Information

• Purity: 95%