1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid

C10H10FN3O4 — CID 168690888

IUPAC1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ncc(F)c(N2CC(C(=O)O)CC2=O)n1
InChIInChI=1S/C10H10FN3O4/c1-18-10-12-3-6(11)8(13-10)14-4-5(9(16)17)2-7(14)15/h3,5H,2,4H2,1H3,(H,16,17)
InChIKeyIMUVGYQKCRNYJP-UHFFFAOYSA-N
MW255.20 g/mol
LogP0.06
Rot. Bonds3

About 1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168690888) has the molecular formula C10H10FN3O4 and a molecular weight of 255.20 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168690888
Molecular FormulaC10H10FN3O4
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ncc(F)c(N2CC(C(=O)O)CC2=O)n1
InChIInChI=1S/C10H10FN3O4/c1-18-10-12-3-6(11)8(13-10)14-4-5(9(16)17)2-7(14)15/h3,5H,2,4H2,1H3,(H,16,17)
InChIKeyIMUVGYQKCRNYJP-UHFFFAOYSA-N
XLogP0.06
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Fluoro-1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 142475908
1-[5-Fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 176121515
(3aS,6aS)-2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6-oxo-5-propyl-1,3,4,6a-tetrahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 56910356
(3aS*,6aS*)-2-(cyclopropylmethyl)-5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxohexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid
CID 70778220
1-(5-Fluoropyrimidin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 104605917
3-Ethyl-1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 104605918
1-(5-Fluoropyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 104605921
1-(5-Fluoropyrimidin-2-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 104605972
(3S,4S)-1-(5-fluoropyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 105579295
Methyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate
CID 112703131
Methyl 1-(5-fluoropyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate
CID 112703198
1-(5-Fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 112703899

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 168690888) is 1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid is COc1ncc(F)c(N2CC(C(=O)O)CC2=O)n1.
What is the InChIKey of 1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is IMUVGYQKCRNYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O4/c1-18-10-12-3-6(11)8(13-10)14-4-5(9(16)17)2-7(14)15/h3,5H,2,4H2,1H3,(H,16,17).
What are the key properties of 1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 255.20 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).