methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate

C13H16N2O4 — CID 79806240

IUPACmethyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cccnc2)CCO1
InChIInChI=1S/C13H16N2O4/c1-18-12(16)7-11-9-15(5-6-19-11)13(17)10-3-2-4-14-8-10/h2-4,8,11H,5-7,9H2,1H3
InChIKeyCPWOEKPJSIQOIG-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.49
Rot. Bonds3

About methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate

methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate (PubChem CID 79806240) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
PubChem CID79806240
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cccnc2)CCO1
InChIInChI=1S/C13H16N2O4/c1-18-12(16)7-11-9-15(5-6-19-11)13(17)10-3-2-4-14-8-10/h2-4,8,11H,5-7,9H2,1H3
InChIKeyCPWOEKPJSIQOIG-UHFFFAOYSA-N
XLogP0.49
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806162
methyl 2-[4-(3-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534948
methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
CID 115535924
[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 42377336
methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79812705
methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate
CID 115535926
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879
4-(pyridine-3-carbonyl)morpholine-2-carbonitrile
CID 78945686
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate
CID 103842120

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate (CID 79806240) is methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)c2cccnc2)CCO1.
What is the InChIKey of methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate?
The InChIKey is CPWOEKPJSIQOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-18-12(16)7-11-9-15(5-6-19-11)13(17)10-3-2-4-14-8-10/h2-4,8,11H,5-7,9H2,1H3.
What are the key properties of methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate?
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate has a molecular weight of 264.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79806240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).