methyl 2-morpholin-4-ium-4-ylacetate

C7H14NO3+ — CID 7100124

IUPACmethyl 2-morpholin-4-ium-4-ylacetate
SMILESCOC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C7H13NO3/c1-10-7(9)6-8-2-4-11-5-3-8/h2-6H2,1H3/p+1
InChIKeyLTMOFXOWXXOMEZ-UHFFFAOYSA-O
MW160.19 g/mol
LogP-1.93
Rot. Bonds2

About methyl 2-morpholin-4-ium-4-ylacetate

methyl 2-morpholin-4-ium-4-ylacetate (PubChem CID 7100124) has the molecular formula C7H14NO3+ and a molecular weight of 160.19 g/mol. Its IUPAC name is methyl 2-morpholin-4-ium-4-ylacetate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-ium-4-ylacetate
PubChem CID7100124
Molecular FormulaC7H14NO3+
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Namemethyl 2-morpholin-4-ium-4-ylacetate
SMILESCOC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C7H13NO3/c1-10-7(9)6-8-2-4-11-5-3-8/h2-6H2,1H3/p+1
InChIKeyLTMOFXOWXXOMEZ-UHFFFAOYSA-O
XLogP-1.93
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-1.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl piperazine-1-acetate
CID 207112
Glycine, N-methyl-, ethyl ester
CID 95849
Methyl Morpholinoacetate
CID 1268178
Ethyl 2-(ethylamino)acetate
CID 12591597
2-(4-Methylmorpholin-4-ium-4-yl)acetate
CID 5249656
Ethyl 2-Morpholinoacetate
CID 2734105
Morpholin-2-one
CID 19910037
Morpholine, acetate (1:1)
CID 11964105
Ethyl 2-(propylamino)acetate
CID 13454968
Methyl 2-[(2-methoxyethyl)amino]acetate
CID 28565694
2-Morpholin-4-ium-4-ylacetate
CID 1616939
Methyl N-ethylglycinate
CID 12591596

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-ium-4-ylacetate?
The IUPAC name of methyl 2-morpholin-4-ium-4-ylacetate (CID 7100124) is methyl 2-morpholin-4-ium-4-ylacetate.
What is the SMILES notation for methyl 2-morpholin-4-ium-4-ylacetate?
The canonical SMILES for methyl 2-morpholin-4-ium-4-ylacetate is COC(=O)C[NH+]1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-ium-4-ylacetate?
The InChIKey is LTMOFXOWXXOMEZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO3/c1-10-7(9)6-8-2-4-11-5-3-8/h2-6H2,1H3/p+1.
What are the key properties of methyl 2-morpholin-4-ium-4-ylacetate?
methyl 2-morpholin-4-ium-4-ylacetate has a molecular weight of 160.19 g/mol, XLogP of -1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-ium-4-ylacetate is sourced from PubChem (CID 7100124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).