2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid

C10H12N2O6 — CID 61327396

IUPAC2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid
SMILESCn1cc(C(=O)COCC(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C10H12N2O6/c1-11-3-6(9(16)12(2)10(11)17)7(13)4-18-5-8(14)15/h3H,4-5H2,1-2H3,(H,14,15)
InChIKeyPXAAGDGOFLWSHF-UHFFFAOYSA-N
MW256.21 g/mol
LogP-1.63
Rot. Bonds5

About 2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid

2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid (PubChem CID 61327396) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is 2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid
PubChem CID61327396
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid
SMILESCn1cc(C(=O)COCC(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C10H12N2O6/c1-11-3-6(9(16)12(2)10(11)17)7(13)4-18-5-8(14)15/h3H,4-5H2,1-2H3,(H,14,15)
InChIKeyPXAAGDGOFLWSHF-UHFFFAOYSA-N
XLogP-1.63
TPSA107.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid (CID 61327396) is 2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid is Cn1cc(C(=O)COCC(=O)O)c(=O)n(C)c1=O.
What is the InChIKey of 2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid?
The InChIKey is PXAAGDGOFLWSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6/c1-11-3-6(9(16)12(2)10(11)17)7(13)4-18-5-8(14)15/h3H,4-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid?
2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid has a molecular weight of 256.21 g/mol, XLogP of -1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61327396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).