8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol

C8H16N2O3 — CID 85195122

IUPAC8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol
SMILESNC1C(O)C(O)CN2CCC(O)C12
InChIInChI=1S/C8H16N2O3/c9-6-7-4(11)1-2-10(7)3-5(12)8(6)13/h4-8,11-13H,1-3,9H2
InChIKeyDGNLZGBUNJKCFU-UHFFFAOYSA-N
MW188.23 g/mol
LogP-2.52
Rot. Bonds

About 8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol

8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol (PubChem CID 85195122) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol.

Molecular Properties

Compound Name8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol
PubChem CID85195122
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol
SMILESNC1C(O)C(O)CN2CCC(O)C12
InChIInChI=1S/C8H16N2O3/c9-6-7-4(11)1-2-10(7)3-5(12)8(6)13/h4-8,11-13H,1-3,9H2
InChIKeyDGNLZGBUNJKCFU-UHFFFAOYSA-N
XLogP-2.52
TPSA89.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-2.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,6S,7S,8R)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
CID 130756850
(1S,6R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
CID 11052417
(1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 11252155
(2R,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 153057468
(1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol
CID 143167608
(3S,4R,5R,6R)-1-azabicyclo[4.2.0]octane-3,4,5-triol
CID 46862440
(1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
CID 10845389
(2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 57320180
(1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol
CID 14655858
(1S,6S,7S,8R,8aR)-6-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol
CID 14636219
(1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
CID 89102266
(6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol
CID 70920066

Frequently Asked Questions

What is the IUPAC name of 8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol?
The IUPAC name of 8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol (CID 85195122) is 8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol.
What is the SMILES notation for 8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol?
The canonical SMILES for 8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol is NC1C(O)C(O)CN2CCC(O)C12.
What is the InChIKey of 8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol?
The InChIKey is DGNLZGBUNJKCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c9-6-7-4(11)1-2-10(7)3-5(12)8(6)13/h4-8,11-13H,1-3,9H2.
What are the key properties of 8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol?
8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol has a molecular weight of 188.23 g/mol, XLogP of -2.52, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol is sourced from PubChem (CID 85195122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).