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

C8H16N2O3 — CID 19978361

IUPAC6-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,3-triol
SMILESNC1CCC2C(O)C(O)C(O)N2C1
InChIInChI=1S/C8H16N2O3/c9-4-1-2-5-6(11)7(12)8(13)10(5)3-4/h4-8,11-13H,1-3,9H2
InChIKeyKOMQIBDSYRYZJX-UHFFFAOYSA-N
MW188.23 g/mol
LogP-2.17
Rot. Bonds

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

6-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,3-triol (PubChem CID 19978361) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,3-triol.

Molecular Properties

Compound Name6-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,3-triol
PubChem CID19978361
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name6-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,3-triol
SMILESNC1CCC2C(O)C(O)C(O)N2C1
InChIInChI=1S/C8H16N2O3/c9-4-1-2-5-6(11)7(12)8(13)10(5)3-4/h4-8,11-13H,1-3,9H2
InChIKeyKOMQIBDSYRYZJX-UHFFFAOYSA-N
XLogP-2.17
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 ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol
CID 169042103
5-amino-1-methylpiperidin-2-ol;hydrochloride
CID 174643109
(3S,6S,7S,8R,8aS)-3-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
CID 10703323
1-methylpyrrolidin-3-amine;sulfanol
CID 143564913
4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol
CID 172990620
9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine
CID 67709044
5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 85416185
(2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
CID 162453191
cyclopropanamine;cyclopropanol
CID 67718225
(1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol
CID 45110036
(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
CID 145443394
cyclohexane-1,4-diamine;hydrochloride
CID 54599176

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,3-triol?
The IUPAC name of 6-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,3-triol (CID 19978361) is 6-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,3-triol.
What is the SMILES notation for 6-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,3-triol?
The canonical SMILES for 6-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,3-triol is NC1CCC2C(O)C(O)C(O)N2C1.
What is the InChIKey of 6-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,3-triol?
The InChIKey is KOMQIBDSYRYZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c9-4-1-2-5-6(11)7(12)8(13)10(5)3-4/h4-8,11-13H,1-3,9H2.
What are the key properties of 6-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,3-triol?
6-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,3-triol has a molecular weight of 188.23 g/mol, XLogP of -2.17, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,3-triol is sourced from PubChem (CID 19978361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).