3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid

C8H10N2O5 — CID 130387264

IUPAC3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid
SMILESCOC(Cc1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C8H10N2O5/c1-15-5(7(12)13)2-4-3-9-8(14)10-6(4)11/h3,5H,2H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyZLIHVQNDQAHFQB-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.29
Rot. Bonds4

About 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid

3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid (PubChem CID 130387264) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid
PubChem CID130387264
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid
SMILESCOC(Cc1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C8H10N2O5/c1-15-5(7(12)13)2-4-3-9-8(14)10-6(4)11/h3,5H,2H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyZLIHVQNDQAHFQB-UHFFFAOYSA-N
XLogP-1.29
TPSA112.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid
CID 114144355
tert-butyl 2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate
CID 167715233
CID 158810794
CID 158810794
bis(5-(hydroxymethyl)-1H-pyrimidine-2,4-dione);hydrate
CID 70550921
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-methoxypropanoic acid
CID 167015185
3-(2-iodophenyl)-2-methoxypropanoic acid
CID 70425557
S-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl] ethanethioate
CID 91621964
(E)-4-[(2,4-dioxo-1H-pyrimidin-5-yl)methoxy]-4-oxobut-2-enoic acid
CID 122443719
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate
CID 23216229
(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid
CID 99924303
9-(2,4-dioxo-1H-pyrimidin-5-yl)-8-oxononanoic acid
CID 159678656

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid?
The IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid (CID 130387264) is 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid.
What is the SMILES notation for 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid?
The canonical SMILES for 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid is COC(Cc1c[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid?
The InChIKey is ZLIHVQNDQAHFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-15-5(7(12)13)2-4-3-9-8(14)10-6(4)11/h3,5H,2H2,1H3,(H,12,13)(H2,9,10,11,14).
What are the key properties of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid?
3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid has a molecular weight of 214.18 g/mol, XLogP of -1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid is sourced from PubChem (CID 130387264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).