6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol

C6H11NO4 — CID 74028150

IUPAC6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol
SMILESOC1C2COC(N2)C(O)C1O
InChIInChI=1S/C6H11NO4/c8-3-2-1-11-6(7-2)5(10)4(3)9/h2-10H,1H2
InChIKeyMNVGWBSOQKTAEU-UHFFFAOYSA-N
MW161.16 g/mol
LogP-2.60
Rot. Bonds

About 6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol

6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol (PubChem CID 74028150) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol.

Molecular Properties

Compound Name6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol
PubChem CID74028150
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol
SMILESOC1C2COC(N2)C(O)C1O
InChIInChI=1S/C6H11NO4/c8-3-2-1-11-6(7-2)5(10)4(3)9/h2-10H,1H2
InChIKeyMNVGWBSOQKTAEU-UHFFFAOYSA-N
XLogP-2.60
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-2.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-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

7-oxa-9-azatricyclo[4.2.1.02,5]nonane
CID 45092475
(1S,3R,4R,5S,8R)-3-(hydroxymethyl)-6-oxa-2-azabicyclo[3.2.1]octane-4,8-diol;hydrochloride
CID 56946468
3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane
CID 130396612
oxazetidin-3-ol
CID 141182834
5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol
CID 85195026
(1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol
CID 50930799
(2S,3R,4R)-2-methyloxolane-3,4-diol
CID 101241466
(2R,4R,5S)-2-methyloxane-3,4,5-triol
CID 89321348
(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol
CID 59378770
(2S,5R)-2-methyloxane-3,4,5-triol
CID 67963515
(1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride
CID 139022492
(3aS,6R,7S,7aR)-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydropyrano[2,3-d][1,3]oxazol-2-one
CID 130804912

Frequently Asked Questions

What is the IUPAC name of 6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol?
The IUPAC name of 6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol (CID 74028150) is 6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol.
What is the SMILES notation for 6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol?
The canonical SMILES for 6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol is OC1C2COC(N2)C(O)C1O.
What is the InChIKey of 6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol?
The InChIKey is MNVGWBSOQKTAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c8-3-2-1-11-6(7-2)5(10)4(3)9/h2-10H,1H2.
What are the key properties of 6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol?
6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol has a molecular weight of 161.16 g/mol, XLogP of -2.60, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol is sourced from PubChem (CID 74028150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).