ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate

C11H17N3O4 — CID 60811076

IUPACethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O4/c1-4-18-9(15)6-12-5-8-7-13(2)11(17)14(3)10(8)16/h7,12H,4-6H2,1-3H3
InChIKeyKOUDJFQZUJDCTK-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.26
Rot. Bonds5

About ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate

ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate (PubChem CID 60811076) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate
PubChem CID60811076
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Nameethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O4/c1-4-18-9(15)6-12-5-8-7-13(2)11(17)14(3)10(8)16/h7,12H,4-6H2,1-3H3
InChIKeyKOUDJFQZUJDCTK-UHFFFAOYSA-N
XLogP-1.26
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate?
The IUPAC name of ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate (CID 60811076) is ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate is CCOC(=O)CNCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate?
The InChIKey is KOUDJFQZUJDCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-4-18-9(15)6-12-5-8-7-13(2)11(17)14(3)10(8)16/h7,12H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate?
ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate has a molecular weight of 255.27 g/mol, XLogP of -1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate is sourced from PubChem (CID 60811076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).