[(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate

C10H18N2O2 — CID 143932207

IUPAC[(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate
SMILESCC(=O)OC1C[C@@H](N)CN2CCCC12
InChIInChI=1S/C10H18N2O2/c1-7(13)14-10-5-8(11)6-12-4-2-3-9(10)12/h8-10H,2-6,11H2,1H3/t8-,9?,10?/m1/s1
InChIKeyVFZWZDRDFHYVAQ-XNWIYYODSA-N
MW198.27 g/mol
LogP0.11
Rot. Bonds1

About [(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate

[(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate (PubChem CID 143932207) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is [(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate.

Molecular Properties

Compound Name[(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate
PubChem CID143932207
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name[(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate
SMILESCC(=O)OC1C[C@@H](N)CN2CCCC12
InChIInChI=1S/C10H18N2O2/c1-7(13)14-10-5-8(11)6-12-4-2-3-9(10)12/h8-10H,2-6,11H2,1H3/t8-,9?,10?/m1/s1
InChIKeyVFZWZDRDFHYVAQ-XNWIYYODSA-N
XLogP0.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
CID 162863042
[(1R,2R,9S,17S)-5-hydroxy-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-4-yl] acetate
CID 53324127
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
(1,3-dimethylpiperidin-4-yl) acetate
CID 20696711
(8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate
CID 131884886
1-(2-methoxycyclohexyl)-5-methylpiperidin-3-amine
CID 106873300
CID 101452833
CID 101452833
1-(2-hydroxycyclopentyl)piperidine-3-carboxamide
CID 60712103
[(1R,2R,3R)-2,3-diaminocyclopentyl] acetate
CID 167445479
(3aS,4R,7aS)-4-acetyloxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylic acid;acetic acid
CID 157486241
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate?
The IUPAC name of [(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate (CID 143932207) is [(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate.
What is the SMILES notation for [(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate?
The canonical SMILES for [(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate is CC(=O)OC1C[C@@H](N)CN2CCCC12.
What is the InChIKey of [(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate?
The InChIKey is VFZWZDRDFHYVAQ-XNWIYYODSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(13)14-10-5-8(11)6-12-4-2-3-9(10)12/h8-10H,2-6,11H2,1H3/t8-,9?,10?/m1/s1.
What are the key properties of [(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate?
[(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate has a molecular weight of 198.27 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate is sourced from PubChem (CID 143932207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).