methyl (3S)-morpholine-3-carboxylate

• ChemBase ID: 288782
• Molecular Formular: C6H11NO3
• Molecular Mass: 145.15644
• Monoisotopic Mass: 145.07389322
• SMILES: O=C([C@H]1NCCOC1)OC
• Canonical SMILES: COC(=O)[C@@H]1COCCN1
• InChI: InChI=1S/C6H11NO3/c1-9-6(8)5-4-10-3-2-7-5/h5,7H,2-4H2,1H3/t5-/m0/s1
• InChIKey: VVYXIRKYWOEDRA-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (3S)-morpholine-3-carboxylate
• IUPAC Traditional name: methyl (3S)-morpholine-3-carboxylate
• Synonyms: (S)-Methyl morpholine-3-carboxylate

Database IDs

• CAS Number: 741288-31-3
• PubChem SID: 180674313
• PubChem CID: 6558896

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.63609815
• LogD (pH = 7.4): -0.5763626
• Log P: -0.57554525
• Molar Refractivity: 34.3669 cm^3
• Polarizability: 14.102353 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%