methyl 2-(morpholin-2-yl)acetate

• ChemBase ID: 811973
• Molecular Formular: C7H13NO3
• Molecular Mass: 159.18302
• Monoisotopic Mass: 159.08954328
• SMILES: C(C(=O)OC)C1CNCCO1
• Canonical SMILES: COC(=O)CC1CNCCO1
• InChI: InChI=1S/C7H13NO3/c1-10-7(9)4-6-5-8-2-3-11-6/h6,8H,2-5H2,1H3
• InChIKey: PVCYXJXAUBLSJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(morpholin-2-yl)acetate
• IUPAC Traditional name: methyl 2-(morpholin-2-yl)acetate
• Synonyms: MORPHOLIN-2-YL-ACETIC ACID METHYL ESTER

Database IDs

• CAS Number: 473269-88-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.869718
• LogD (pH = 7.4): -1.1408471
• Log P: -0.49072176
• Molar Refractivity: 38.9912 cm^3
• Polarizability: 15.927211 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%