2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetic acid

• ChemBase ID: 307574
• Molecular Formular: C8H15NO3
• Molecular Mass: 173.2096
• Monoisotopic Mass: 173.10519335
• SMILES: N1(CC(=O)O)C[C@@H](O[C@@H](C1)C)C
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)CC(=O)O
• InChI: InChI=1S/C8H15NO3/c1-6-3-9(5-8(10)11)4-7(2)12-6/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7+
• InChIKey: WKUYTGRCKMDKDV-KNVOCYPGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetic acid
• IUPAC Traditional name: [(2R,6S)-2,6-dimethylmorpholin-4-yl]acetic acid
• Synonyms: [cis-2,6-dimethylmorpholin-4-yl]acetic acid

Database IDs

• CAS Number: 142893-66-1
• MDL Number: MFCD08691620

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.021854
• LogD (pH = 7.4): -2.548579
• Log P: -2.0158856
• Molar Refractivity: 43.9848 cm^3
• Polarizability: 17.513292 Å^3
• Polar Surface Area: 49.77 Å^2