(6R)-6-methylmorpholine-2-carboxamide

• ChemBase ID: 237985
• Molecular Formular: C6H12N2O2
• Molecular Mass: 144.17168
• Monoisotopic Mass: 144.08987763
• SMILES: C1(O[C@@H](CNC1)C)C(=O)N
• Canonical SMILES: C[C@@H]1CNCC(O1)C(=O)N
• InChI: InChI=1S/C6H12N2O2/c1-4-2-8-3-5(10-4)6(7)9/h4-5,8H,2-3H2,1H3,(H2,7,9)/t4-,5?/m1/s1
• InChIKey: OCCUOFVJVBKROR-CNZKWPKMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6R)-6-methylmorpholine-2-carboxamide
• IUPAC Traditional name: (6R)-6-methylmorpholine-2-carboxamide
• Synonyms: (6R)-6-methylmorpholine-2-carboxamide

Database IDs

• MDL Number: MFCD22375318
• PubChem SID: 164293895
• PubChem CID: 71756058

CALCULATED PROPERTIES

• Acid pKa: 15.860296
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4480283
• LogD (pH = 7.4): -1.7241664
• Log P: -1.1118069
• Molar Refractivity: 35.8388 cm^3
• Polarizability: 14.520407 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.961

Product Information

• Purity: 95%