(6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol

C11H21NO3 — CID 10242390

IUPAC(6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol
SMILESCC(C)O[C@H]1[C@@H](O)[C@H]2CCCN2C[C@@H]1O
InChIInChI=1S/C11H21NO3/c1-7(2)15-11-9(13)6-12-5-3-4-8(12)10(11)14/h7-11,13-14H,3-6H2,1-2H3/t8-,9+,10+,11-/m1/s1
InChIKeyXWPJNYSZYALGHY-VPOLOUISSA-N
MW215.29 g/mol
LogP-0.02
Rot. Bonds2

About (6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol

(6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol (PubChem CID 10242390) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol.

Molecular Properties

Compound Name(6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol
PubChem CID10242390
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol
SMILESCC(C)O[C@H]1[C@@H](O)[C@H]2CCCN2C[C@@H]1O
InChIInChI=1S/C11H21NO3/c1-7(2)15-11-9(13)6-12-5-3-4-8(12)10(11)14/h7-11,13-14H,3-6H2,1-2H3/t8-,9+,10+,11-/m1/s1
InChIKeyXWPJNYSZYALGHY-VPOLOUISSA-N
XLogP-0.02
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol with MolForge

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Related Compounds

(6R,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
CID 11401041
(1S,2S,3R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol
CID 11183076
(3S,4R,5R,6R)-1-azabicyclo[4.2.0]octane-3,4,5-triol
CID 46862440
(1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol
CID 11457819
trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol
CID 14642489
(2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 57320180
(6R)-6-pyrrolidin-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 143932220
trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol
CID 106588237
methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate
CID 115537096
trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol
CID 102732019
2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid
CID 116684067
4-(3-methylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703939

Frequently Asked Questions

What is the IUPAC name of (6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol?
The IUPAC name of (6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol (CID 10242390) is (6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol.
What is the SMILES notation for (6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol?
The canonical SMILES for (6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol is CC(C)O[C@H]1[C@@H](O)[C@H]2CCCN2C[C@@H]1O.
What is the InChIKey of (6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol?
The InChIKey is XWPJNYSZYALGHY-VPOLOUISSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)15-11-9(13)6-12-5-3-4-8(12)10(11)14/h7-11,13-14H,3-6H2,1-2H3/t8-,9+,10+,11-/m1/s1.
What are the key properties of (6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol?
(6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol has a molecular weight of 215.29 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol is sourced from PubChem (CID 10242390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).