methyl 2-[(morpholine-4-carbonyl)amino]acetate

• ChemBase ID: 121365
• Molecular Formular: C8H14N2O4
• Molecular Mass: 202.20776
• Monoisotopic Mass: 202.09535694
• SMILES: C(=O)(N1CCOCC1)NCC(=O)OC
• Canonical SMILES: COC(=O)CNC(=O)N1CCOCC1
• InChI: InChI=1S/C8H14N2O4/c1-13-7(11)6-9-8(12)10-2-4-14-5-3-10/h2-6H2,1H3,(H,9,12)
• InChIKey: TYKHAKTVSSECOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(morpholine-4-carbonyl)amino]acetate
• IUPAC Traditional name: methyl 2-(morpholine-4-carbonylamino)acetate
• Synonyms: methyl 2-(morpholine-4-carboxamido)acetate

Database IDs

• PubChem SID: 162215718
• PubChem CID: 3412064

CALCULATED PROPERTIES

• Acid pKa: 14.603512
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2874287
• LogD (pH = 7.4): -1.2874287
• Log P: -1.2874287
• Molar Refractivity: 47.7609 cm^3
• Polarizability: 18.696705 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true