ethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate

C12H23NO3 — CID 64661671

IUPACethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCOC(C)(C)C1
InChIInChI=1S/C12H23NO3/c1-5-10(11(14)15-6-2)13-7-8-16-12(3,4)9-13/h10H,5-9H2,1-4H3
InChIKeyBFNCYQCGQNIXHU-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds4

About ethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate

ethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate (PubChem CID 64661671) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate
PubChem CID64661671
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCOC(C)(C)C1
InChIInChI=1S/C12H23NO3/c1-5-10(11(14)15-6-2)13-7-8-16-12(3,4)9-13/h10H,5-9H2,1-4H3
InChIKeyBFNCYQCGQNIXHU-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Piperazinium, 4-(1-carboxy-2-methylpropyl)-1-ethyl-1-methyl-, iodide, ethyl ester
CID 3065843
Methyl 3-Morpholinobutanoate
CID 15095655
2-(2,6-Dimethylmorpholin-4-yl)-3-methylbutanoic acid hydrochloride
CID 45792325
Methyl 2-morpholinobutanoate
CID 11286908
Ethyl 2-morpholin-4-ylpropanoate
CID 13022013
Methyl 2-(4-morpholinyl)propanoate
CID 15164418
Ethyl 2-piperidinobutanoate
CID 15525951
Ethyl 2-(dibutylamino)butanoate
CID 64662668
3-tert-Butyl 4-methyl 2-methyl-1,3-oxazinane-3,4-dicarboxylate
CID 381854
2-(Diethylamino)butanoic acid ethyl ester
CID 142127
Methyl 3-fluoro-2-morpholin-4-ylbutanoate
CID 176011858
Ethyl 2-[ethyl(methyl)amino]butanoate
CID 64662874

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate?
The IUPAC name of ethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate (CID 64661671) is ethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate.
What is the SMILES notation for ethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate?
The canonical SMILES for ethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate is CCOC(=O)C(CC)N1CCOC(C)(C)C1.
What is the InChIKey of ethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate?
The InChIKey is BFNCYQCGQNIXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-10(11(14)15-6-2)13-7-8-16-12(3,4)9-13/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate?
ethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate has a molecular weight of 229.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate is sourced from PubChem (CID 64661671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).