(2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate

C10H19NO4 — CID 176698160

IUPAC(2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate
SMILESC[C@H]1C[C@@H](N2CCOC[C@H]2[OH2+])C[C@H]([O-])O1
InChIInChI=1S/C10H18NO4/c1-7-4-8(5-10(13)15-7)11-2-3-14-6-9(11)12/h7-10,12H,2-6H2,1H3/q-1/p+1/t7-,8+,9+,10+/m0/s1
InChIKeyJQAJZARRXYUWFB-SGIHWFKDSA-O
MW217.26 g/mol
LogP-1.38
Rot. Bonds1

About (2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate

(2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate (PubChem CID 176698160) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is (2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate.

Molecular Properties

Compound Name(2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate
PubChem CID176698160
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate
SMILESC[C@H]1C[C@@H](N2CCOC[C@H]2[OH2+])C[C@H]([O-])O1
InChIInChI=1S/C10H18NO4/c1-7-4-8(5-10(13)15-7)11-2-3-14-6-9(11)12/h7-10,12H,2-6H2,1H3/q-1/p+1/t7-,8+,9+,10+/m0/s1
InChIKeyJQAJZARRXYUWFB-SGIHWFKDSA-O
XLogP-1.38
TPSA67.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze (2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate with MolForge

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Related Compounds

4-(3-bicyclo[3.1.0]hexanyl)-3-methylmorpholine
CID 144865906
6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
CID 156794987
4-cyclobutyl-3-methylmorpholine
CID 131084475
(3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine
CID 177261927
(7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 143829898
[(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane
CID 177330814
4-oxa-1-azabicyclo[4.2.2]decane
CID 118209761
ethane;3-ethyl-4-(oxetan-3-yl)morpholine
CID 177200740
(3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine
CID 118531607
methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate
CID 115882935
4-(3-methylmorpholin-4-yl)oxolan-2-one
CID 131085919
4-[(1R,3S)-3-methylcyclopentyl]morpholine
CID 7448488

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate?
The IUPAC name of (2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate (CID 176698160) is (2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate.
What is the SMILES notation for (2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate?
The canonical SMILES for (2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate is C[C@H]1C[C@@H](N2CCOC[C@H]2[OH2+])C[C@H]([O-])O1.
What is the InChIKey of (2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate?
The InChIKey is JQAJZARRXYUWFB-SGIHWFKDSA-O. The full InChI is InChI=1S/C10H18NO4/c1-7-4-8(5-10(13)15-7)11-2-3-14-6-9(11)12/h7-10,12H,2-6H2,1H3/q-1/p+1/t7-,8+,9+,10+/m0/s1.
What are the key properties of (2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate?
(2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate has a molecular weight of 217.26 g/mol, XLogP of -1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-6-methyl-4-[(3R)-3-oxoniomorpholin-4-yl]oxan-2-olate is sourced from PubChem (CID 176698160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).