ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate

C13H18N2O5 — CID 19862585

IUPACethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate
SMILESCCOC(=O)CCNC(=O)Oc1c(C)n(C)ccc1=O
InChIInChI=1S/C13H18N2O5/c1-4-19-11(17)5-7-14-13(18)20-12-9(2)15(3)8-6-10(12)16/h6,8H,4-5,7H2,1-3H3,(H,14,18)
InChIKeyWMCCXZWFDVSIOK-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.74
Rot. Bonds5

About ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate

ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate (PubChem CID 19862585) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate
PubChem CID19862585
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Nameethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate
SMILESCCOC(=O)CCNC(=O)Oc1c(C)n(C)ccc1=O
InChIInChI=1S/C13H18N2O5/c1-4-19-11(17)5-7-14-13(18)20-12-9(2)15(3)8-6-10(12)16/h6,8H,4-5,7H2,1-3H3,(H,14,18)
InChIKeyWMCCXZWFDVSIOK-UHFFFAOYSA-N
XLogP0.74
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate?
The IUPAC name of ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate (CID 19862585) is ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate.
What is the SMILES notation for ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate?
The canonical SMILES for ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate is CCOC(=O)CCNC(=O)Oc1c(C)n(C)ccc1=O.
What is the InChIKey of ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate?
The InChIKey is WMCCXZWFDVSIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-4-19-11(17)5-7-14-13(18)20-12-9(2)15(3)8-6-10(12)16/h6,8H,4-5,7H2,1-3H3,(H,14,18).
What are the key properties of ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate?
ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate has a molecular weight of 282.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate is sourced from PubChem (CID 19862585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).