methyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate

C17H34NO4+ — CID 3621712

IUPACmethyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate
SMILESCOC(=O)CCCCCCCCC(O)C[N+]1(C)CCOCC1
InChIInChI=1S/C17H34NO4/c1-18(11-13-22-14-12-18)15-16(19)9-7-5-3-4-6-8-10-17(20)21-2/h16,19H,3-15H2,1-2H3/q+1
InChIKeyUZVSSGIULGHDLK-UHFFFAOYSA-N
MW316.46 g/mol
LogP2.12
Rot. Bonds11

About methyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate

methyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate (PubChem CID 3621712) has the molecular formula C17H34NO4+ and a molecular weight of 316.46 g/mol. Its IUPAC name is methyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate.

Molecular Properties

Compound Namemethyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate
PubChem CID3621712
Molecular FormulaC17H34NO4+
Molecular Weight316.46 g/mol
Exact Mass316.25
IUPAC Namemethyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate
SMILESCOC(=O)CCCCCCCCC(O)C[N+]1(C)CCOCC1
InChIInChI=1S/C17H34NO4/c1-18(11-13-22-14-12-18)15-16(19)9-7-5-3-4-6-8-10-17(20)21-2/h16,19H,3-15H2,1-2H3/q+1
InChIKeyUZVSSGIULGHDLK-UHFFFAOYSA-N
XLogP2.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate?
The IUPAC name of methyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate (CID 3621712) is methyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate.
What is the SMILES notation for methyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate?
The canonical SMILES for methyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate is COC(=O)CCCCCCCCC(O)C[N+]1(C)CCOCC1.
What is the InChIKey of methyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate?
The InChIKey is UZVSSGIULGHDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34NO4/c1-18(11-13-22-14-12-18)15-16(19)9-7-5-3-4-6-8-10-17(20)21-2/h16,19H,3-15H2,1-2H3/q+1.
What are the key properties of methyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate?
methyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate has a molecular weight of 316.46 g/mol, XLogP of 2.12, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-hydroxy-11-(4-methylmorpholin-4-ium-4-yl)undecanoate is sourced from PubChem (CID 3621712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).