2-(2-oxomorpholin-4-ium-4-yl)acetate

C6H9NO4 — CID 6984925

IUPAC2-(2-oxomorpholin-4-ium-4-yl)acetate
SMILESO=C([O-])C[NH+]1CCOC(=O)C1
InChIInChI=1S/C6H9NO4/c8-5(9)3-7-1-2-11-6(10)4-7/h1-4H2,(H,8,9)
InChIKeyRCYMJALINOFPDJ-UHFFFAOYSA-N
MW159.14 g/mol
LogP-3.82
Rot. Bonds2

About 2-(2-oxomorpholin-4-ium-4-yl)acetate

2-(2-oxomorpholin-4-ium-4-yl)acetate (PubChem CID 6984925) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-(2-oxomorpholin-4-ium-4-yl)acetate.

Molecular Properties

Compound Name2-(2-oxomorpholin-4-ium-4-yl)acetate
PubChem CID6984925
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-(2-oxomorpholin-4-ium-4-yl)acetate
SMILESO=C([O-])C[NH+]1CCOC(=O)C1
InChIInChI=1S/C6H9NO4/c8-5(9)3-7-1-2-11-6(10)4-7/h1-4H2,(H,8,9)
InChIKeyRCYMJALINOFPDJ-UHFFFAOYSA-N
XLogP-3.82
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-3.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl piperazine-1-acetate
CID 207112
Ethyl 2-(ethylamino)acetate
CID 12591597
Morpholin-2-one
CID 19910037
2-Morpholin-4-ium-4-ylacetate
CID 1616939
Ethyl 2-[(2-methoxyethyl)amino]acetate
CID 15818815
Methyl 2-{[2-(morpholin-4-yl)ethyl]amino}acetate
CID 28583171
Mor-pholinium acetate
CID 10942589
Morpholine-2,6-dione
CID 22226403
n-Ethylmorpholinium acetate
CID 70173444
1-Piperazineacetic acid, methyl ester
CID 15343158
2-Morpholin-4-ium-4-ylacetic acid chloride
CID 44661721
2-Morpholin-4-ium-4-ylacetic acid
CID 4872106

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxomorpholin-4-ium-4-yl)acetate?
The IUPAC name of 2-(2-oxomorpholin-4-ium-4-yl)acetate (CID 6984925) is 2-(2-oxomorpholin-4-ium-4-yl)acetate.
What is the SMILES notation for 2-(2-oxomorpholin-4-ium-4-yl)acetate?
The canonical SMILES for 2-(2-oxomorpholin-4-ium-4-yl)acetate is O=C([O-])C[NH+]1CCOC(=O)C1.
What is the InChIKey of 2-(2-oxomorpholin-4-ium-4-yl)acetate?
The InChIKey is RCYMJALINOFPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c8-5(9)3-7-1-2-11-6(10)4-7/h1-4H2,(H,8,9).
What are the key properties of 2-(2-oxomorpholin-4-ium-4-yl)acetate?
2-(2-oxomorpholin-4-ium-4-yl)acetate has a molecular weight of 159.14 g/mol, XLogP of -3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxomorpholin-4-ium-4-yl)acetate is sourced from PubChem (CID 6984925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).