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

C10H18N2O2 — CID 162863042

IUPAC[(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCN2CCC[C@H](N)[C@@H]12
InChIInChI=1S/C10H18N2O2/c1-7(13)14-9-4-6-12-5-2-3-8(11)10(9)12/h8-10H,2-6,11H2,1H3/t8-,9+,10-/m0/s1
InChIKeyDKSUKPLTJHGMRT-AEJSXWLSSA-N
MW198.27 g/mol
LogP0.11
Rot. Bonds1

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

[(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate (PubChem CID 162863042) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is [(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate.

Molecular Properties

Compound Name[(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
PubChem CID162863042
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name[(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCN2CCC[C@H](N)[C@@H]12
InChIInChI=1S/C10H18N2O2/c1-7(13)14-9-4-6-12-5-2-3-8(11)10(9)12/h8-10H,2-6,11H2,1H3/t8-,9+,10-/m0/s1
InChIKeyDKSUKPLTJHGMRT-AEJSXWLSSA-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

Analyze [(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate?
The IUPAC name of [(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate (CID 162863042) is [(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate.
What is the SMILES notation for [(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate?
The canonical SMILES for [(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate is CC(=O)O[C@@H]1CCN2CCC[C@H](N)[C@@H]12.
What is the InChIKey of [(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate?
The InChIKey is DKSUKPLTJHGMRT-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(13)14-9-4-6-12-5-2-3-8(11)10(9)12/h8-10H,2-6,11H2,1H3/t8-,9+,10-/m0/s1.
What are the key properties of [(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate?
[(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-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 [(1R,8S,8aS)-8-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate is sourced from PubChem (CID 162863042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).