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

C10H19NO3 — CID 122392067

IUPAC(1R,2R,3S,5S,8aR)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol
SMILESC[C@H]1CCC[C@@H]2[C@@H](O)[C@H](O)[C@H](CO)N21
InChIInChI=1S/C10H19NO3/c1-6-3-2-4-7-9(13)10(14)8(5-12)11(6)7/h6-10,12-14H,2-5H2,1H3/t6-,7+,8-,9+,10+/m0/s1
InChIKeyWWCHNEZLPVURTG-SQXHDICFSA-N
MW201.27 g/mol
LogP-0.67
Rot. Bonds1

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

(1R,2R,3S,5S,8aR)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol (PubChem CID 122392067) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (1R,2R,3S,5S,8aR)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol.

Molecular Properties

Compound Name(1R,2R,3S,5S,8aR)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol
PubChem CID122392067
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(1R,2R,3S,5S,8aR)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol
SMILESC[C@H]1CCC[C@@H]2[C@@H](O)[C@H](O)[C@H](CO)N21
InChIInChI=1S/C10H19NO3/c1-6-3-2-4-7-9(13)10(14)8(5-12)11(6)7/h6-10,12-14H,2-5H2,1H3/t6-,7+,8-,9+,10+/m0/s1
InChIKeyWWCHNEZLPVURTG-SQXHDICFSA-N
XLogP-0.67
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5S,8aR)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol?
The IUPAC name of (1R,2R,3S,5S,8aR)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol (CID 122392067) is (1R,2R,3S,5S,8aR)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol.
What is the SMILES notation for (1R,2R,3S,5S,8aR)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol?
The canonical SMILES for (1R,2R,3S,5S,8aR)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol is C[C@H]1CCC[C@@H]2[C@@H](O)[C@H](O)[C@H](CO)N21.
What is the InChIKey of (1R,2R,3S,5S,8aR)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol?
The InChIKey is WWCHNEZLPVURTG-SQXHDICFSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-3-2-4-7-9(13)10(14)8(5-12)11(6)7/h6-10,12-14H,2-5H2,1H3/t6-,7+,8-,9+,10+/m0/s1.
What are the key properties of (1R,2R,3S,5S,8aR)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol?
(1R,2R,3S,5S,8aR)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol has a molecular weight of 201.27 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5S,8aR)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol is sourced from PubChem (CID 122392067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).