(6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol

C9H18N2O3 — CID 70920066

IUPAC(6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol
SMILESCN[C@H]1CN2CCC(O)C2[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18N2O3/c1-10-5-4-11-3-2-6(12)7(11)9(14)8(5)13/h5-10,12-14H,2-4H2,1H3/t5-,6?,7?,8+,9+/m0/s1
InChIKeyYNISPHNGNQYQJJ-UVRWEMPVSA-N
MW202.25 g/mol
LogP-2.26
Rot. Bonds1

About (6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol

(6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol (PubChem CID 70920066) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol.

Molecular Properties

Compound Name(6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol
PubChem CID70920066
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol
SMILESCN[C@H]1CN2CCC(O)C2[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18N2O3/c1-10-5-4-11-3-2-6(12)7(11)9(14)8(5)13/h5-10,12-14H,2-4H2,1H3/t5-,6?,7?,8+,9+/m0/s1
InChIKeyYNISPHNGNQYQJJ-UVRWEMPVSA-N
XLogP-2.26
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-2.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1,1-dimethyl-3-(1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea
CID 77386335
N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide
CID 138727871
(2R,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 153057468
(1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 11252155
3-methyl-N-(1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)butanamide
CID 77259572
(1S,6S,7S,8R,8aR)-6-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol
CID 14636219
1-propyl-3-(1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea
CID 77389932
(1S,6S,7R,8R,8aR)-6-but-3-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol
CID 159763396
(1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol
CID 143167608
(1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol
CID 14655858

Frequently Asked Questions

What is the IUPAC name of (6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol?
The IUPAC name of (6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol (CID 70920066) is (6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol.
What is the SMILES notation for (6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol?
The canonical SMILES for (6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol is CN[C@H]1CN2CCC(O)C2[C@@H](O)[C@@H]1O.
What is the InChIKey of (6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol?
The InChIKey is YNISPHNGNQYQJJ-UVRWEMPVSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-10-5-4-11-3-2-6(12)7(11)9(14)8(5)13/h5-10,12-14H,2-4H2,1H3/t5-,6?,7?,8+,9+/m0/s1.
What are the key properties of (6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol?
(6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol has a molecular weight of 202.25 g/mol, XLogP of -2.26, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R,8R)-6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol is sourced from PubChem (CID 70920066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).