ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate

C15H22N2O6 — CID 19862596

IUPACethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate
SMILESCCOC(=O)CCNC(=O)Oc1c(C)n(CCOC)ccc1=O
InChIInChI=1S/C15H22N2O6/c1-4-22-13(19)5-7-16-15(20)23-14-11(2)17(9-10-21-3)8-6-12(14)18/h6,8H,4-5,7,9-10H2,1-3H3,(H,16,20)
InChIKeyIQVYOEWLDKHKTI-UHFFFAOYSA-N
MW326.35 g/mol
LogP0.84
Rot. Bonds8

About ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate

ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate (PubChem CID 19862596) has the molecular formula C15H22N2O6 and a molecular weight of 326.35 g/mol. Its IUPAC name is ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate
PubChem CID19862596
Molecular FormulaC15H22N2O6
Molecular Weight326.35 g/mol
Exact Mass326.15
IUPAC Nameethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate
SMILESCCOC(=O)CCNC(=O)Oc1c(C)n(CCOC)ccc1=O
InChIInChI=1S/C15H22N2O6/c1-4-22-13(19)5-7-16-15(20)23-14-11(2)17(9-10-21-3)8-6-12(14)18/h6,8H,4-5,7,9-10H2,1-3H3,(H,16,20)
InChIKeyIQVYOEWLDKHKTI-UHFFFAOYSA-N
XLogP0.84
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate?
The IUPAC name of ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate (CID 19862596) is ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate.
What is the SMILES notation for ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate?
The canonical SMILES for ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate is CCOC(=O)CCNC(=O)Oc1c(C)n(CCOC)ccc1=O.
What is the InChIKey of ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate?
The InChIKey is IQVYOEWLDKHKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6/c1-4-22-13(19)5-7-16-15(20)23-14-11(2)17(9-10-21-3)8-6-12(14)18/h6,8H,4-5,7,9-10H2,1-3H3,(H,16,20).
What are the key properties of ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate?
ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate has a molecular weight of 326.35 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate is sourced from PubChem (CID 19862596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).