[(3S)-4-methylmorpholin-3-yl]methanol

C6H13NO2 — CID 58666450

IUPAC[(3S)-4-methylmorpholin-3-yl]methanol
SMILESCN1CCOC[C@@H]1CO
InChIInChI=1S/C6H13NO2/c1-7-2-3-9-5-6(7)4-8/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyWXGKNIRSXCAEEP-LURJTMIESA-N
MW131.18 g/mol
LogP-0.69
Rot. Bonds1

About [(3S)-4-methylmorpholin-3-yl]methanol

[(3S)-4-methylmorpholin-3-yl]methanol (PubChem CID 58666450) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is [(3S)-4-methylmorpholin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-4-methylmorpholin-3-yl]methanol
PubChem CID58666450
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name[(3S)-4-methylmorpholin-3-yl]methanol
SMILESCN1CCOC[C@@H]1CO
InChIInChI=1S/C6H13NO2/c1-7-2-3-9-5-6(7)4-8/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyWXGKNIRSXCAEEP-LURJTMIESA-N
XLogP-0.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-4-methylmorpholin-3-yl]ethanol
CID 155290392
2-(4-methylmorpholin-3-yl)ethanol
CID 69499703
(3S)-3-ethyl-4-methylmorpholine
CID 130351596
[(3S)-4-methylmorpholin-3-yl]methanamine
CID 66577079
3-(fluoromethyl)-4-methylmorpholine
CID 83854278
ethane;2-[(4-methylmorpholin-3-yl)methyl]propane-1,3-diol
CID 144576606
(3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine
CID 168851954
2-[3-(hydroxymethyl)morpholin-4-yl]ethanol
CID 83815724
N-[(4-methylmorpholin-3-yl)methyl]acetamide
CID 10035059
[4-[2-(methylamino)ethyl]morpholin-3-yl]methanol
CID 83816538
(4-methylsulfinylmorpholin-3-yl)methanol
CID 127006204
[4-(sulfanylmethyl)morpholin-3-yl]methanol
CID 139499999

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-methylmorpholin-3-yl]methanol?
The IUPAC name of [(3S)-4-methylmorpholin-3-yl]methanol (CID 58666450) is [(3S)-4-methylmorpholin-3-yl]methanol.
What is the SMILES notation for [(3S)-4-methylmorpholin-3-yl]methanol?
The canonical SMILES for [(3S)-4-methylmorpholin-3-yl]methanol is CN1CCOC[C@@H]1CO.
What is the InChIKey of [(3S)-4-methylmorpholin-3-yl]methanol?
The InChIKey is WXGKNIRSXCAEEP-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-2-3-9-5-6(7)4-8/h6,8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of [(3S)-4-methylmorpholin-3-yl]methanol?
[(3S)-4-methylmorpholin-3-yl]methanol has a molecular weight of 131.18 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-methylmorpholin-3-yl]methanol is sourced from PubChem (CID 58666450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).