(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C12H16FN3O6 — CID 3073493

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H16FN3O6/c1-12(2,3)22-11(20)14-4-8(17)21-6-16-5-7(13)9(18)15-10(16)19/h5H,4,6H2,1-3H3,(H,14,20)(H,15,18,19)
InChIKeyYBMMLOWXLDQBNN-UHFFFAOYSA-N
MW317.27 g/mol
LogP-0.30
Rot. Bonds4

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 3073493) has the molecular formula C12H16FN3O6 and a molecular weight of 317.27 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID3073493
Molecular FormulaC12H16FN3O6
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H16FN3O6/c1-12(2,3)22-11(20)14-4-8(17)21-6-16-5-7(13)9(18)15-10(16)19/h5H,4,6H2,1-3H3,(H,14,20)(H,15,18,19)
InChIKeyYBMMLOWXLDQBNN-UHFFFAOYSA-N
XLogP-0.30
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 3073493) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)NCC(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is YBMMLOWXLDQBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O6/c1-12(2,3)22-11(20)14-4-8(17)21-6-16-5-7(13)9(18)15-10(16)19/h5H,4,6H2,1-3H3,(H,14,20)(H,15,18,19).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 317.27 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 3073493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).