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

C13H18N2O5 — CID 19862606

IUPACethyl 2-[(2-ethyl-1-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate
SMILESCCOC(=O)CNC(=O)Oc1c(CC)n(C)ccc1=O
InChIInChI=1S/C13H18N2O5/c1-4-9-12(10(16)6-7-15(9)3)20-13(18)14-8-11(17)19-5-2/h6-7H,4-5,8H2,1-3H3,(H,14,18)
InChIKeyULVITNIHDQWCSQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.60
Rot. Bonds5

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

ethyl 2-[(2-ethyl-1-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate (PubChem CID 19862606) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 2-[(2-ethyl-1-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-ethyl-1-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate
PubChem CID19862606
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Nameethyl 2-[(2-ethyl-1-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate
SMILESCCOC(=O)CNC(=O)Oc1c(CC)n(C)ccc1=O
InChIInChI=1S/C13H18N2O5/c1-4-9-12(10(16)6-7-15(9)3)20-13(18)14-8-11(17)19-5-2/h6-7H,4-5,8H2,1-3H3,(H,14,18)
InChIKeyULVITNIHDQWCSQ-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethyl-1-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate?
The IUPAC name of ethyl 2-[(2-ethyl-1-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate (CID 19862606) is ethyl 2-[(2-ethyl-1-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-ethyl-1-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate?
The canonical SMILES for ethyl 2-[(2-ethyl-1-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate is CCOC(=O)CNC(=O)Oc1c(CC)n(C)ccc1=O.
What is the InChIKey of ethyl 2-[(2-ethyl-1-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate?
The InChIKey is ULVITNIHDQWCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-4-9-12(10(16)6-7-15(9)3)20-13(18)14-8-11(17)19-5-2/h6-7H,4-5,8H2,1-3H3,(H,14,18).
What are the key properties of ethyl 2-[(2-ethyl-1-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate?
ethyl 2-[(2-ethyl-1-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate has a molecular weight of 282.30 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethyl-1-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate is sourced from PubChem (CID 19862606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).