methyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate

C14H20N2O4 — CID 114775805

IUPACmethyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OCC2CNCC(C)(C)O2)ccn1
InChIInChI=1S/C14H20N2O4/c1-14(2)9-15-7-11(20-14)8-19-10-4-5-16-12(6-10)13(17)18-3/h4-6,11,15H,7-9H2,1-3H3
InChIKeyABMWORSDEFMZAP-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.01
Rot. Bonds4

About methyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate

methyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate (PubChem CID 114775805) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate
PubChem CID114775805
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OCC2CNCC(C)(C)O2)ccn1
InChIInChI=1S/C14H20N2O4/c1-14(2)9-15-7-11(20-14)8-19-10-4-5-16-12(6-10)13(17)18-3/h4-6,11,15H,7-9H2,1-3H3
InChIKeyABMWORSDEFMZAP-UHFFFAOYSA-N
XLogP1.01
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate (CID 114775805) is methyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate is COC(=O)c1cc(OCC2CNCC(C)(C)O2)ccn1.
What is the InChIKey of methyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate?
The InChIKey is ABMWORSDEFMZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2)9-15-7-11(20-14)8-19-10-4-5-16-12(6-10)13(17)18-3/h4-6,11,15H,7-9H2,1-3H3.
What are the key properties of methyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate?
methyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate is sourced from PubChem (CID 114775805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).