tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate

C16H24N2O4 — CID 122131711

IUPACtert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate
SMILESCOCC1CN(c2cccc(C(=O)OC(C)(C)C)n2)CCO1
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(19)13-6-5-7-14(17-13)18-8-9-21-12(10-18)11-20-4/h5-7,12H,8-11H2,1-4H3
InChIKeyQJABKHBDGZHIDY-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.89
Rot. Bonds4

About tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate

tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate (PubChem CID 122131711) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate
PubChem CID122131711
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate
SMILESCOCC1CN(c2cccc(C(=O)OC(C)(C)C)n2)CCO1
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(19)13-6-5-7-14(17-13)18-8-9-21-12(10-18)11-20-4/h5-7,12H,8-11H2,1-4H3
InChIKeyQJABKHBDGZHIDY-UHFFFAOYSA-N
XLogP1.89
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(6-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435001
4-(5-bromo-2-pyridinyl)-2-(methoxymethyl)morpholine
CID 71996193
6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid
CID 79681061
tert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate
CID 178108889
tert-butyl 6-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pyridine-2-carboxylate
CID 167881776
ethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 174089462
tert-butyl 4-(6-acetyl-2-pyridinyl)piperazine-1-carboxylate
CID 168933947
methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate
CID 71977884
methyl 2-(4-quinolin-2-ylmorpholin-2-yl)acetate
CID 79764299
(2R)-2-(fluoromethyl)-4-(6-methyl-2-pyridinyl)morpholine
CID 129348618
methyl 6-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxylate
CID 123942155
(2R)-2-(methoxymethyl)-4-(6-thiophen-2-ylpyrazin-2-yl)morpholine
CID 125143670

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate?
The IUPAC name of tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate (CID 122131711) is tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate is COCC1CN(c2cccc(C(=O)OC(C)(C)C)n2)CCO1.
What is the InChIKey of tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate?
The InChIKey is QJABKHBDGZHIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,3)22-15(19)13-6-5-7-14(17-13)18-8-9-21-12(10-18)11-20-4/h5-7,12H,8-11H2,1-4H3.
What are the key properties of tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate?
tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate is sourced from PubChem (CID 122131711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).