6-amino-octahydroindolizin-1-yl acetate

• ChemBase ID: 129494
• Molecular Formular: C10H18N2O2
• Molecular Mass: 198.26212
• Monoisotopic Mass: 198.13682783
• SMILES: CC(=O)OC1CCN2C1CCC(C2)N
• Canonical SMILES: NC1CCC2N(C1)CCC2OC(=O)C
• InChI: InChI=1S/C10H18N2O2/c1-7(13)14-10-4-5-12-6-8(11)2-3-9(10)12/h8-10H,2-6,11H2,1H3
• InChIKey: YYIUHLPAZILPSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-octahydroindolizin-1-yl acetate
• IUPAC Traditional name: slaframine
• Synonyms: Slaframine

Database IDs

• CAS Number: 20084-93-9
• PubChem SID: 162223787
• PubChem CID: 9794202
• Chemspider ID: 7969969
• Wikipedia Title: Slaframine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.1475635
• LogD (pH = 7.4): -2.9222665
• Log P: -0.38225746
• Molar Refractivity: 52.8297 cm^3
• Polarizability: 21.515053 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true