1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone

C11H22N2O3 — CID 97040273

IUPAC1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCOC[C@H]1CN(C)C
InChIInChI=1S/C11H22N2O3/c1-4-15-9-11(14)13-5-6-16-8-10(13)7-12(2)3/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyLXEUGIPRZWUXOW-SNVBAGLBSA-N
MW230.31 g/mol
LogP-0.19
Rot. Bonds5

About 1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone

1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone (PubChem CID 97040273) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone
PubChem CID97040273
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCOC[C@H]1CN(C)C
InChIInChI=1S/C11H22N2O3/c1-4-15-9-11(14)13-5-6-16-8-10(13)7-12(2)3/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyLXEUGIPRZWUXOW-SNVBAGLBSA-N
XLogP-0.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid
CID 71785884
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid
CID 71785945
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid
CID 71785953
cyclohexyl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040260
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-naphthalen-1-ylethanone
CID 71785974
[3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
CID 71786050
2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61410962
1-[3-(bromomethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103212798
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838
(5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040326
5-bromo-1-(3-ethylmorpholin-4-yl)pentan-1-one
CID 107908453
4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid
CID 81058113

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone?
The IUPAC name of 1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone (CID 97040273) is 1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone is CCOCC(=O)N1CCOC[C@H]1CN(C)C.
What is the InChIKey of 1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone?
The InChIKey is LXEUGIPRZWUXOW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-15-9-11(14)13-5-6-16-8-10(13)7-12(2)3/h10H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone?
1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone has a molecular weight of 230.31 g/mol, XLogP of -0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone is sourced from PubChem (CID 97040273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).