methyl morpholine-2-carboxylate

• ChemBase ID: 309077
• Molecular Formular: C6H11NO3
• Molecular Mass: 145.15644
• Monoisotopic Mass: 145.07389322
• SMILES: C1(C(=O)OC)OCCNC1
• Canonical SMILES: COC(=O)C1CNCCO1
• InChI: InChI=1S/C6H11NO3/c1-9-6(8)5-4-7-2-3-10-5/h5,7H,2-4H2,1H3
• InChIKey: RTITWBGWTASYEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl morpholine-2-carboxylate
• IUPAC Traditional name: methyl morpholine-2-carboxylate
• Synonyms: methyl 2-morpholinecarboxylate

Database IDs

• CAS Number: 135782-19-3
• MDL Number: MFCD11656588

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4471653
• LogD (pH = 7.4): -0.86873233
• Log P: -0.57554525
• Molar Refractivity: 34.3669 cm^3
• Polarizability: 14.102353 Å^3
• Polar Surface Area: 47.56 Å^2