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

C12H22N2O3 — CID 81203290

IUPAC2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
SMILESCC1COC(CO)CN1C(=O)CNCC1CC1
InChIInChI=1S/C12H22N2O3/c1-9-8-17-11(7-15)6-14(9)12(16)5-13-4-10-2-3-10/h9-11,13,15H,2-8H2,1H3
InChIKeyQRRMQGOMMMUOEP-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.41
Rot. Bonds5

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

2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone (PubChem CID 81203290) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
PubChem CID81203290
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
SMILESCC1COC(CO)CN1C(=O)CNCC1CC1
InChIInChI=1S/C12H22N2O3/c1-9-8-17-11(7-15)6-14(9)12(16)5-13-4-10-2-3-10/h9-11,13,15H,2-8H2,1H3
InChIKeyQRRMQGOMMMUOEP-UHFFFAOYSA-N
XLogP-0.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone
CID 81202861
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 81202762
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 81218189
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81208152
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
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
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(3-methylazetidin-3-yl)oxyethanone
CID 102656384

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone (CID 81203290) is 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone is CC1COC(CO)CN1C(=O)CNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
The InChIKey is QRRMQGOMMMUOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-8-17-11(7-15)6-14(9)12(16)5-13-4-10-2-3-10/h9-11,13,15H,2-8H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone has a molecular weight of 242.32 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 81203290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).