2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol

C9H19NO3 — CID 57087699

IUPAC2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol
SMILESCOC[C@@H]1CN(CCO)[C@@H](C)CO1
InChIInChI=1S/C9H19NO3/c1-8-6-13-9(7-12-2)5-10(8)3-4-11/h8-9,11H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyIEBHREKWZAMUHS-IUCAKERBSA-N
MW189.25 g/mol
LogP-0.29
Rot. Bonds4

About 2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol

2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol (PubChem CID 57087699) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol
PubChem CID57087699
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol
SMILESCOC[C@@H]1CN(CCO)[C@@H](C)CO1
InChIInChI=1S/C9H19NO3/c1-8-6-13-9(7-12-2)5-10(8)3-4-11/h8-9,11H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyIEBHREKWZAMUHS-IUCAKERBSA-N
XLogP-0.29
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol?
The IUPAC name of 2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol (CID 57087699) is 2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol.
What is the SMILES notation for 2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol?
The canonical SMILES for 2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol is COC[C@@H]1CN(CCO)[C@@H](C)CO1.
What is the InChIKey of 2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol?
The InChIKey is IEBHREKWZAMUHS-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO3/c1-8-6-13-9(7-12-2)5-10(8)3-4-11/h8-9,11H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of 2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol?
2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol has a molecular weight of 189.25 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol is sourced from PubChem (CID 57087699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).