ethyl 2-morpholin-4-ium-4-ylacetate

C8H16NO3+ — CID 6950779

IUPACethyl 2-morpholin-4-ium-4-ylacetate
SMILESCCOC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C8H15NO3/c1-2-12-8(10)7-9-3-5-11-6-4-9/h2-7H2,1H3/p+1
InChIKeySITMDWHJQROIPF-UHFFFAOYSA-O
MW174.22 g/mol
LogP-1.54
Rot. Bonds3

About ethyl 2-morpholin-4-ium-4-ylacetate

ethyl 2-morpholin-4-ium-4-ylacetate (PubChem CID 6950779) has the molecular formula C8H16NO3+ and a molecular weight of 174.22 g/mol. Its IUPAC name is ethyl 2-morpholin-4-ium-4-ylacetate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-ium-4-ylacetate
PubChem CID6950779
Molecular FormulaC8H16NO3+
Molecular Weight174.22 g/mol
Exact Mass174.11
IUPAC Nameethyl 2-morpholin-4-ium-4-ylacetate
SMILESCCOC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C8H15NO3/c1-2-12-8(10)7-9-3-5-11-6-4-9/h2-7H2,1H3/p+1
InChIKeySITMDWHJQROIPF-UHFFFAOYSA-O
XLogP-1.54
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl piperazine-1-acetate
CID 207112
4,4-Diethyl-2-oxomorpholin-4-ium chloride
CID 200862
Ethyl 2-(ethylamino)acetate
CID 12591597
Ethyl 2-Morpholinoacetate
CID 2734105
Morpholin-2-one
CID 19910037
Morpholine, acetate (1:1)
CID 11964105
2-Morpholin-4-ium-4-ylacetate
CID 1616939
Ethyl morpholinoacetate hydrochloride
CID 45264830
Ethyl 2-(piperazin-1-yl)propanoate
CID 2736463
Ethyl 2-[(2-methoxyethyl)amino]acetate
CID 15818815
Methyl 2-{[2-(morpholin-4-yl)ethyl]amino}acetate
CID 28583171
Ethyl 2-(butylamino)acetate
CID 10607047

Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-ium-4-ylacetate?
The IUPAC name of ethyl 2-morpholin-4-ium-4-ylacetate (CID 6950779) is ethyl 2-morpholin-4-ium-4-ylacetate.
What is the SMILES notation for ethyl 2-morpholin-4-ium-4-ylacetate?
The canonical SMILES for ethyl 2-morpholin-4-ium-4-ylacetate is CCOC(=O)C[NH+]1CCOCC1.
What is the InChIKey of ethyl 2-morpholin-4-ium-4-ylacetate?
The InChIKey is SITMDWHJQROIPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO3/c1-2-12-8(10)7-9-3-5-11-6-4-9/h2-7H2,1H3/p+1.
What are the key properties of ethyl 2-morpholin-4-ium-4-ylacetate?
ethyl 2-morpholin-4-ium-4-ylacetate has a molecular weight of 174.22 g/mol, XLogP of -1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-ium-4-ylacetate is sourced from PubChem (CID 6950779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).