ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate

C12H19N3O4 — CID 61498917

IUPACethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H19N3O4/c1-5-19-11(17)8(2)13-7-9-6-10(16)15(4)12(18)14(9)3/h6,8,13H,5,7H2,1-4H3
InChIKeyUUCONARMQQSXAR-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.87
Rot. Bonds5

About ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate

ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate (PubChem CID 61498917) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate
PubChem CID61498917
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nameethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H19N3O4/c1-5-19-11(17)8(2)13-7-9-6-10(16)15(4)12(18)14(9)3/h6,8,13H,5,7H2,1-4H3
InChIKeyUUCONARMQQSXAR-UHFFFAOYSA-N
XLogP-0.87
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.87
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-2,6-dioxopyrimidin-4-yl)methylamino]propanoate?
The IUPAC name of ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate (CID 61498917) is ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate?
The canonical SMILES for ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate is CCOC(=O)C(C)NCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate?
The InChIKey is UUCONARMQQSXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-5-19-11(17)8(2)13-7-9-6-10(16)15(4)12(18)14(9)3/h6,8,13H,5,7H2,1-4H3.
What are the key properties of ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate?
ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate has a molecular weight of 269.30 g/mol, XLogP of -0.87, 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-2,6-dioxopyrimidin-4-yl)methylamino]propanoate is sourced from PubChem (CID 61498917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).