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

C12H16N2O5 — CID 19862590

IUPACethyl 2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate
SMILESCCOC(=O)CNC(=O)Oc1c(C)n(C)ccc1=O
InChIInChI=1S/C12H16N2O5/c1-4-18-10(16)7-13-12(17)19-11-8(2)14(3)6-5-9(11)15/h5-6H,4,7H2,1-3H3,(H,13,17)
InChIKeyWAHNTBJQRUUXCT-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.35
Rot. Bonds4

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

ethyl 2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate (PubChem CID 19862590) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is ethyl 2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate
PubChem CID19862590
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Nameethyl 2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate
SMILESCCOC(=O)CNC(=O)Oc1c(C)n(C)ccc1=O
InChIInChI=1S/C12H16N2O5/c1-4-18-10(16)7-13-12(17)19-11-8(2)14(3)6-5-9(11)15/h5-6H,4,7H2,1-3H3,(H,13,17)
InChIKeyWAHNTBJQRUUXCT-UHFFFAOYSA-N
XLogP0.35
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate?
The IUPAC name of ethyl 2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate (CID 19862590) is ethyl 2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate.
What is the SMILES notation for ethyl 2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate?
The canonical SMILES for ethyl 2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate is CCOC(=O)CNC(=O)Oc1c(C)n(C)ccc1=O.
What is the InChIKey of ethyl 2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate?
The InChIKey is WAHNTBJQRUUXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-4-18-10(16)7-13-12(17)19-11-8(2)14(3)6-5-9(11)15/h5-6H,4,7H2,1-3H3,(H,13,17).
What are the key properties of ethyl 2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate?
ethyl 2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate has a molecular weight of 268.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate is sourced from PubChem (CID 19862590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).