1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone

C12H22N2O4 — CID 102656384

IUPAC1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCC1COC(CO)CN1C(=O)COC1(C)CNC1
InChIInChI=1S/C12H22N2O4/c1-9-5-17-10(4-15)3-14(9)11(16)6-18-12(2)7-13-8-12/h9-10,13,15H,3-8H2,1-2H3
InChIKeyLPXRDZJHOOVDSW-UHFFFAOYSA-N
MW258.32 g/mol
LogP-1.03
Rot. Bonds4

About 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone (PubChem CID 102656384) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone
PubChem CID102656384
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCC1COC(CO)CN1C(=O)COC1(C)CNC1
InChIInChI=1S/C12H22N2O4/c1-9-5-17-10(4-15)3-14(9)11(16)6-18-12(2)7-13-8-12/h9-10,13,15H,3-8H2,1-2H3
InChIKeyLPXRDZJHOOVDSW-UHFFFAOYSA-N
XLogP-1.03
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone (CID 102656384) is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone is CC1COC(CO)CN1C(=O)COC1(C)CNC1.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone?
The InChIKey is LPXRDZJHOOVDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9-5-17-10(4-15)3-14(9)11(16)6-18-12(2)7-13-8-12/h9-10,13,15H,3-8H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone?
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone has a molecular weight of 258.32 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone is sourced from PubChem (CID 102656384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).