4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one

C10H19NO4 — CID 81218189

IUPAC4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
SMILESCC1COC(CO)CN1C(=O)CCCO
InChIInChI=1S/C10H19NO4/c1-8-7-15-9(6-13)5-11(8)10(14)3-2-4-12/h8-9,12-13H,2-7H2,1H3
InChIKeyIPYCXZORIUFGEL-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.63
Rot. Bonds4

About 4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one

4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one (PubChem CID 81218189) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
PubChem CID81218189
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
SMILESCC1COC(CO)CN1C(=O)CCCO
InChIInChI=1S/C10H19NO4/c1-8-7-15-9(6-13)5-11(8)10(14)3-2-4-12/h8-9,12-13H,2-7H2,1H3
InChIKeyIPYCXZORIUFGEL-UHFFFAOYSA-N
XLogP-0.63
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81208152
3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81209141
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 81202762
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81203290
1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81211868
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone
CID 81202861
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 75394541
4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one
CID 81194547
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 81219880

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one?
The IUPAC name of 4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one (CID 81218189) is 4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one?
The canonical SMILES for 4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one is CC1COC(CO)CN1C(=O)CCCO.
What is the InChIKey of 4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one?
The InChIKey is IPYCXZORIUFGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8-7-15-9(6-13)5-11(8)10(14)3-2-4-12/h8-9,12-13H,2-7H2,1H3.
What are the key properties of 4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one?
4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one has a molecular weight of 217.26 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one is sourced from PubChem (CID 81218189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).