(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-amine

• ChemBase ID: 310121
• Molecular Formular: C6H11NO
• Molecular Mass: 113.15764
• Monoisotopic Mass: 113.08406398
• SMILES: [C@H]12[C@H]([C@H](C1)N)CCO2
• Canonical SMILES: N[C@H]1C[C@@H]2[C@H]1CCO2
• InChI: InChI=1S/C6H11NO/c7-5-3-6-4(5)1-2-8-6/h4-6H,1-3,7H2/t4-,5-,6+/m0/s1
• InChIKey: QTSOGHFBXHIBFM-HCWXCVPCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-amine
• IUPAC Traditional name: (1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-amine
• Synonyms: rac-(1R,5S,6S)-2-oxabicyclo[3.2.0]hept-6-ylamine

Database IDs

• MDL Number: MFCD20231275

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6206427
• LogD (pH = 7.4): -3.1448019
• Log P: -0.598715
• Molar Refractivity: 30.7493 cm^3
• Polarizability: 12.542403 Å^3
• Polar Surface Area: 35.25 Å^2