morpholin-4-ium acetate

C6H13NO3 — CID 10942589

IUPACmorpholin-4-ium acetate
SMILESC1COCC[NH2+]1.CC(=O)[O-]
InChIInChI=1S/C4H9NO.C2H4O2/c1-3-6-4-2-5-1;1-2(3)4/h5H,1-4H2;1H3,(H,3,4)
InChIKeyMIJRUQYZDSEMBD-UHFFFAOYSA-N
MW147.17 g/mol
LogP-2.66
Rot. Bonds

About morpholin-4-ium acetate

morpholin-4-ium acetate (PubChem CID 10942589) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is morpholin-4-ium acetate.

Molecular Properties

Compound Namemorpholin-4-ium acetate
PubChem CID10942589
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemorpholin-4-ium acetate
SMILESC1COCC[NH2+]1.CC(=O)[O-]
InChIInChI=1S/C4H9NO.C2H4O2/c1-3-6-4-2-5-1;1-2(3)4/h5H,1-4H2;1H3,(H,3,4)
InChIKeyMIJRUQYZDSEMBD-UHFFFAOYSA-N
XLogP-2.66
TPSA65.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-2.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(ethylamino)acetate
CID 12591597
Morpholin-2-one
CID 19910037
Morpholine, acetate (1:1)
CID 11964105
Methyl 2-[(2-methoxyethyl)amino]acetate
CID 28565694
2-Morpholin-4-ium-4-ylacetate
CID 1616939
Ethanol, 2,2'-iminobis-, 1,1'-diacetate
CID 103226
Ethyl 2-[(2-methoxyethyl)amino]acetate
CID 15818815
N-methylmorpholinium trifluoroacetate
CID 67341476
Morpholin-4-ium 2,2,2-trifluoroacetate
CID 71673346
2-(Methylamino)ethyl acetate
CID 11528378
Ethanol, 2-((2-(acetyloxy)ethyl)amino)-
CID 170749
Morpholinium formate
CID 21327648

Frequently Asked Questions

What is the IUPAC name of morpholin-4-ium acetate?
The IUPAC name of morpholin-4-ium acetate (CID 10942589) is morpholin-4-ium acetate.
What is the SMILES notation for morpholin-4-ium acetate?
The canonical SMILES for morpholin-4-ium acetate is C1COCC[NH2+]1.CC(=O)[O-].
What is the InChIKey of morpholin-4-ium acetate?
The InChIKey is MIJRUQYZDSEMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H4O2/c1-3-6-4-2-5-1;1-2(3)4/h5H,1-4H2;1H3,(H,3,4).
What are the key properties of morpholin-4-ium acetate?
morpholin-4-ium acetate has a molecular weight of 147.17 g/mol, XLogP of -2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ium acetate is sourced from PubChem (CID 10942589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).