1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone

C9H18N2O3 — CID 81202762

IUPAC1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC(CO)OCC1C
InChIInChI=1S/C9H18N2O3/c1-7-6-14-8(5-12)4-11(7)9(13)3-10-2/h7-8,10,12H,3-6H2,1-2H3
InChIKeyFLVUAXZKGNSDBA-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.19
Rot. Bonds3

About 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone (PubChem CID 81202762) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
PubChem CID81202762
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC(CO)OCC1C
InChIInChI=1S/C9H18N2O3/c1-7-6-14-8(5-12)4-11(7)9(13)3-10-2/h7-8,10,12H,3-6H2,1-2H3
InChIKeyFLVUAXZKGNSDBA-UHFFFAOYSA-N
XLogP-1.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone
CID 81202861
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81203290
4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 81218189
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone
CID 81203030
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81208152
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487
3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81209141
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 75394541
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 81208543
2-(2-aminocyclohexyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81213064

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone (CID 81202762) is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone is CNCC(=O)N1CC(CO)OCC1C.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone?
The InChIKey is FLVUAXZKGNSDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7-6-14-8(5-12)4-11(7)9(13)3-10-2/h7-8,10,12H,3-6H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone?
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone has a molecular weight of 202.25 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 81202762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).