2-morpholin-4-ium-4-ylacetic acid

C6H12NO3+ — CID 4872106

IUPAC2-morpholin-4-ium-4-ylacetic acid
SMILESO=C(O)C[NH+]1CCOCC1
InChIInChI=1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)/p+1
InChIKeyVIWZVFVJPXTXPA-UHFFFAOYSA-O
MW146.17 g/mol
LogP-2.01
Rot. Bonds2

About 2-morpholin-4-ium-4-ylacetic acid

2-morpholin-4-ium-4-ylacetic acid (PubChem CID 4872106) has the molecular formula C6H12NO3+ and a molecular weight of 146.17 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-ylacetic acid.

Molecular Properties

Compound Name2-morpholin-4-ium-4-ylacetic acid
PubChem CID4872106
Molecular FormulaC6H12NO3+
Molecular Weight146.17 g/mol
Exact Mass146.08
IUPAC Name2-morpholin-4-ium-4-ylacetic acid
SMILESO=C(O)C[NH+]1CCOCC1
InChIInChI=1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)/p+1
InChIKeyVIWZVFVJPXTXPA-UHFFFAOYSA-O
XLogP-2.01
TPSA50.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Morpholineacetic acid
CID 438968
Morpholin-2-one
CID 19910037
Morpholine, acetate (1:1)
CID 11964105
2-(Morpholin-4-yl)acetic acid hydrochloride
CID 17750946
2-Morpholin-4-ium-4-ylacetate
CID 1616939
Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, compd. with morpholine (1:?)
CID 172027
4-(2-Hydroxyethyl)-morpholine-2-one
CID 11228868
2-[(2-Methoxyethyl)amino]acetic acid
CID 9964102
Mor-pholinium acetate
CID 10942589
2-{[2-(Morpholin-4-yl)ethyl]amino}acetic acid
CID 28897547
Morpholine carbonate
CID 68879409
n-Ethylmorpholinium acetate
CID 70173444

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-ylacetic acid?
The IUPAC name of 2-morpholin-4-ium-4-ylacetic acid (CID 4872106) is 2-morpholin-4-ium-4-ylacetic acid.
What is the SMILES notation for 2-morpholin-4-ium-4-ylacetic acid?
The canonical SMILES for 2-morpholin-4-ium-4-ylacetic acid is O=C(O)C[NH+]1CCOCC1.
What is the InChIKey of 2-morpholin-4-ium-4-ylacetic acid?
The InChIKey is VIWZVFVJPXTXPA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)/p+1.
What are the key properties of 2-morpholin-4-ium-4-ylacetic acid?
2-morpholin-4-ium-4-ylacetic acid has a molecular weight of 146.17 g/mol, XLogP of -2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-ylacetic acid is sourced from PubChem (CID 4872106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).