4-ethylmorpholin-4-ium acetate

C8H17NO3 — CID 70173444

IUPAC4-ethylmorpholin-4-ium acetate
SMILESCC(=O)[O-].CC[NH+]1CCOCC1
InChIInChI=1S/C6H13NO.C2H4O2/c1-2-7-3-5-8-6-4-7;1-2(3)4/h2-6H2,1H3;1H3,(H,3,4)
InChIKeyHPGXYQZKIMWRAM-UHFFFAOYSA-N
MW175.23 g/mol
LogP-2.32
Rot. Bonds1

About 4-ethylmorpholin-4-ium acetate

4-ethylmorpholin-4-ium acetate (PubChem CID 70173444) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-ethylmorpholin-4-ium acetate.

Molecular Properties

Compound Name4-ethylmorpholin-4-ium acetate
PubChem CID70173444
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name4-ethylmorpholin-4-ium acetate
SMILESCC(=O)[O-].CC[NH+]1CCOCC1
InChIInChI=1S/C6H13NO.C2H4O2/c1-2-7-3-5-8-6-4-7;1-2(3)4/h2-6H2,1H3;1H3,(H,3,4)
InChIKeyHPGXYQZKIMWRAM-UHFFFAOYSA-N
XLogP-2.32
TPSA53.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-2.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl piperazine-1-acetate
CID 207112
Morpholine, acetate (1:1)
CID 11964105
2-Morpholin-4-ium-4-ylacetate
CID 1616939
Ethanol, 2,2'-iminobis-, 1,1'-diacetate
CID 103226
Methyl 2-{[2-(morpholin-4-yl)ethyl]amino}acetate
CID 28583171
2-(N-methylmorpholinium)ethyl acetate
CID 124974
4-Morpholineethanol, 4-acetate
CID 21872598
N-methylmorpholinium trifluoroacetate
CID 67341476
Methyl 2-{[2-(4-methylpiperazin-1-yl)ethyl]amino}acetate
CID 82889193
Mor-pholinium acetate
CID 10942589
Bis(2-methoxyethyl)ammonium acetate
CID 87096036
N-methyl-morpholinium formate
CID 134716117

Frequently Asked Questions

What is the IUPAC name of 4-ethylmorpholin-4-ium acetate?
The IUPAC name of 4-ethylmorpholin-4-ium acetate (CID 70173444) is 4-ethylmorpholin-4-ium acetate.
What is the SMILES notation for 4-ethylmorpholin-4-ium acetate?
The canonical SMILES for 4-ethylmorpholin-4-ium acetate is CC(=O)[O-].CC[NH+]1CCOCC1.
What is the InChIKey of 4-ethylmorpholin-4-ium acetate?
The InChIKey is HPGXYQZKIMWRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H4O2/c1-2-7-3-5-8-6-4-7;1-2(3)4/h2-6H2,1H3;1H3,(H,3,4).
What are the key properties of 4-ethylmorpholin-4-ium acetate?
4-ethylmorpholin-4-ium acetate has a molecular weight of 175.23 g/mol, XLogP of -2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylmorpholin-4-ium acetate is sourced from PubChem (CID 70173444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).