4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-)

C6H11NO4-2 — CID 67484156

IUPAC4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-)
SMILESC[N+]1(C(=O)[O-])CCOCC1.[O-2]
InChIInChI=1S/C6H11NO3.O/c1-7(6(8)9)2-4-10-5-3-7;/h2-5H2,1H3;/q;-2
InChIKeySFOHNACCJPXFFI-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.31
Rot. Bonds

About 4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-)

4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-) (PubChem CID 67484156) has the molecular formula C6H11NO4-2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-).

Molecular Properties

Compound Name4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-)
PubChem CID67484156
Molecular FormulaC6H11NO4-2
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-)
SMILESC[N+]1(C(=O)[O-])CCOCC1.[O-2]
InChIInChI=1S/C6H11NO3.O/c1-7(6(8)9)2-4-10-5-3-7;/h2-5H2,1H3;/q;-2
InChIKeySFOHNACCJPXFFI-UHFFFAOYSA-N
XLogP-1.31
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-)?
The IUPAC name of 4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-) (CID 67484156) is 4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-).
What is the SMILES notation for 4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-)?
The canonical SMILES for 4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-) is C[N+]1(C(=O)[O-])CCOCC1.[O-2].
What is the InChIKey of 4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-)?
The InChIKey is SFOHNACCJPXFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.O/c1-7(6(8)9)2-4-10-5-3-7;/h2-5H2,1H3;/q;-2.
What are the key properties of 4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-)?
4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-) has a molecular weight of 161.16 g/mol, XLogP of -1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-) is sourced from PubChem (CID 67484156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).