4-oxidomorpholin-4-ium;prop-2-enoic acid

C7H13NO4 — CID 161177162

IUPAC4-oxidomorpholin-4-ium;prop-2-enoic acid
SMILESC=CC(=O)O.[O-][NH+]1CCOCC1
InChIInChI=1S/C4H9NO2.C3H4O2/c6-5-1-3-7-4-2-5;1-2-3(4)5/h5H,1-4H2;2H,1H2,(H,4,5)
InChIKeyURYTWICQBUHPGD-UHFFFAOYSA-N
MW175.18 g/mol
LogP-1.34
Rot. Bonds1

About 4-oxidomorpholin-4-ium;prop-2-enoic acid

4-oxidomorpholin-4-ium;prop-2-enoic acid (PubChem CID 161177162) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 4-oxidomorpholin-4-ium;prop-2-enoic acid.

Molecular Properties

Compound Name4-oxidomorpholin-4-ium;prop-2-enoic acid
PubChem CID161177162
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name4-oxidomorpholin-4-ium;prop-2-enoic acid
SMILESC=CC(=O)O.[O-][NH+]1CCOCC1
InChIInChI=1S/C4H9NO2.C3H4O2/c6-5-1-3-7-4-2-5;1-2-3(4)5/h5H,1-4H2;2H,1H2,(H,4,5)
InChIKeyURYTWICQBUHPGD-UHFFFAOYSA-N
XLogP-1.34
TPSA74.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxidomorpholin-4-ium;prop-2-enoic acid?
The IUPAC name of 4-oxidomorpholin-4-ium;prop-2-enoic acid (CID 161177162) is 4-oxidomorpholin-4-ium;prop-2-enoic acid.
What is the SMILES notation for 4-oxidomorpholin-4-ium;prop-2-enoic acid?
The canonical SMILES for 4-oxidomorpholin-4-ium;prop-2-enoic acid is C=CC(=O)O.[O-][NH+]1CCOCC1.
What is the InChIKey of 4-oxidomorpholin-4-ium;prop-2-enoic acid?
The InChIKey is URYTWICQBUHPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C3H4O2/c6-5-1-3-7-4-2-5;1-2-3(4)5/h5H,1-4H2;2H,1H2,(H,4,5).
What are the key properties of 4-oxidomorpholin-4-ium;prop-2-enoic acid?
4-oxidomorpholin-4-ium;prop-2-enoic acid has a molecular weight of 175.18 g/mol, XLogP of -1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxidomorpholin-4-ium;prop-2-enoic acid is sourced from PubChem (CID 161177162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).