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

C7H13NO4 — CID 85195026

IUPAC5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol
SMILESCC12NC(CO1)C(O)C(O)C2O
InChIInChI=1S/C7H13NO4/c1-7-6(11)5(10)4(9)3(8-7)2-12-7/h3-6,8-11H,2H2,1H3
InChIKeyAXELXEKVIJRMKU-UHFFFAOYSA-N
MW175.18 g/mol
LogP-2.21
Rot. Bonds

About 5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol

5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol (PubChem CID 85195026) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol.

Molecular Properties

Compound Name5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol
PubChem CID85195026
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol
SMILESCC12NC(CO1)C(O)C(O)C2O
InChIInChI=1S/C7H13NO4/c1-7-6(11)5(10)4(9)3(8-7)2-12-7/h3-6,8-11H,2H2,1H3
InChIKeyAXELXEKVIJRMKU-UHFFFAOYSA-N
XLogP-2.21
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol
CID 102453556
(1S,2R,3R,4S,5R)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol
CID 10844965
(2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol
CID 163627275
(1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol
CID 50930799
6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol
CID 74028150
(4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol
CID 167690761
10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol
CID 15474960
(4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine
CID 130730837
(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol
CID 102312079
(6R,7S,7aR)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 55250433
(3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol
CID 174689422
(3S,4S,5R)-6,6-dimethyloxane-2,3,4,5-tetrol
CID 130978122

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol?
The IUPAC name of 5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol (CID 85195026) is 5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol.
What is the SMILES notation for 5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol?
The canonical SMILES for 5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol is CC12NC(CO1)C(O)C(O)C2O.
What is the InChIKey of 5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol?
The InChIKey is AXELXEKVIJRMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-7-6(11)5(10)4(9)3(8-7)2-12-7/h3-6,8-11H,2H2,1H3.
What are the key properties of 5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol?
5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol has a molecular weight of 175.18 g/mol, XLogP of -2.21, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-oxa-8-azabicyclo[3.2.1]octane-2,3,4-triol is sourced from PubChem (CID 85195026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).