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

C14H20N2O5 — CID 19862607

IUPACethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate
SMILESCCCn1ccc(=O)c(OC(=O)NCC(=O)OCC)c1C
InChIInChI=1S/C14H20N2O5/c1-4-7-16-8-6-11(17)13(10(16)3)21-14(19)15-9-12(18)20-5-2/h6,8H,4-5,7,9H2,1-3H3,(H,15,19)
InChIKeyFNTOPDVAFVXYEO-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.22
Rot. Bonds6

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

ethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate (PubChem CID 19862607) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate
PubChem CID19862607
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Nameethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate
SMILESCCCn1ccc(=O)c(OC(=O)NCC(=O)OCC)c1C
InChIInChI=1S/C14H20N2O5/c1-4-7-16-8-6-11(17)13(10(16)3)21-14(19)15-9-12(18)20-5-2/h6,8H,4-5,7,9H2,1-3H3,(H,15,19)
InChIKeyFNTOPDVAFVXYEO-UHFFFAOYSA-N
XLogP1.22
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate?
The IUPAC name of ethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate (CID 19862607) is ethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate?
The canonical SMILES for ethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate is CCCn1ccc(=O)c(OC(=O)NCC(=O)OCC)c1C.
What is the InChIKey of ethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate?
The InChIKey is FNTOPDVAFVXYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-4-7-16-8-6-11(17)13(10(16)3)21-14(19)15-9-12(18)20-5-2/h6,8H,4-5,7,9H2,1-3H3,(H,15,19).
What are the key properties of ethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate?
ethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate has a molecular weight of 296.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate is sourced from PubChem (CID 19862607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).