2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid

C10H14N2O5 — CID 169129220

IUPAC2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)n1c(=O)cc(C)n(C)c1=O
InChIInChI=1S/C10H14N2O5/c1-6-4-8(13)12(10(16)11(6)2)7(5-17-3)9(14)15/h4,7H,5H2,1-3H3,(H,14,15)
InChIKeySYQJAIVYHHMLIJ-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.87
Rot. Bonds4

About 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid

2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid (PubChem CID 169129220) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid
PubChem CID169129220
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)n1c(=O)cc(C)n(C)c1=O
InChIInChI=1S/C10H14N2O5/c1-6-4-8(13)12(10(16)11(6)2)7(5-17-3)9(14)15/h4,7H,5H2,1-3H3,(H,14,15)
InChIKeySYQJAIVYHHMLIJ-UHFFFAOYSA-N
XLogP-0.87
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid?
The IUPAC name of 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid (CID 169129220) is 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid?
The canonical SMILES for 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid is COCC(C(=O)O)n1c(=O)cc(C)n(C)c1=O.
What is the InChIKey of 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid?
The InChIKey is SYQJAIVYHHMLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-6-4-8(13)12(10(16)11(6)2)7(5-17-3)9(14)15/h4,7H,5H2,1-3H3,(H,14,15).
What are the key properties of 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid?
2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid has a molecular weight of 242.23 g/mol, XLogP of -0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid is sourced from PubChem (CID 169129220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).