(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate

C11H14FN3O4 — CID 121461072

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate
SMILESCN1CCCC1C(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H14FN3O4/c1-14-4-2-3-8(14)10(17)19-6-15-5-7(12)9(16)13-11(15)18/h5,8H,2-4,6H2,1H3,(H,13,16,18)
InChIKeyCOVKSEKZLZSIFL-UHFFFAOYSA-N
MW271.25 g/mol
LogP-0.73
Rot. Bonds3

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate (PubChem CID 121461072) has the molecular formula C11H14FN3O4 and a molecular weight of 271.25 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate
PubChem CID121461072
Molecular FormulaC11H14FN3O4
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate
SMILESCN1CCCC1C(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H14FN3O4/c1-14-4-2-3-8(14)10(17)19-6-15-5-7(12)9(16)13-11(15)18/h5,8H,2-4,6H2,1H3,(H,13,16,18)
InChIKeyCOVKSEKZLZSIFL-UHFFFAOYSA-N
XLogP-0.73
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate (CID 121461072) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate is CN1CCCC1C(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate?
The InChIKey is COVKSEKZLZSIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4/c1-14-4-2-3-8(14)10(17)19-6-15-5-7(12)9(16)13-11(15)18/h5,8H,2-4,6H2,1H3,(H,13,16,18).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate has a molecular weight of 271.25 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 121461072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).