(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(phenylmethoxycarbonylamino)acetate

C15H14FN3O6 — CID 3087572

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(phenylmethoxycarbonylamino)acetate
SMILESO=C(CNC(=O)OCc1ccccc1)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H14FN3O6/c16-11-7-19(14(22)18-13(11)21)9-25-12(20)6-17-15(23)24-8-10-4-2-1-3-5-10/h1-5,7H,6,8-9H2,(H,17,23)(H,18,21,22)
InChIKeyPTCLOMBRCRHIIX-UHFFFAOYSA-N
MW351.29 g/mol
LogP0.10
Rot. Bonds6

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(phenylmethoxycarbonylamino)acetate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(phenylmethoxycarbonylamino)acetate (PubChem CID 3087572) has the molecular formula C15H14FN3O6 and a molecular weight of 351.29 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(phenylmethoxycarbonylamino)acetate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(phenylmethoxycarbonylamino)acetate
PubChem CID3087572
Molecular FormulaC15H14FN3O6
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(phenylmethoxycarbonylamino)acetate
SMILESO=C(CNC(=O)OCc1ccccc1)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H14FN3O6/c16-11-7-19(14(22)18-13(11)21)9-25-12(20)6-17-15(23)24-8-10-4-2-1-3-5-10/h1-5,7H,6,8-9H2,(H,17,23)(H,18,21,22)
InChIKeyPTCLOMBRCRHIIX-UHFFFAOYSA-N
XLogP0.10
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 50.10
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-(phenylmethoxycarbonylamino)acetate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(phenylmethoxycarbonylamino)acetate (CID 3087572) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(phenylmethoxycarbonylamino)acetate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(phenylmethoxycarbonylamino)acetate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(phenylmethoxycarbonylamino)acetate is O=C(CNC(=O)OCc1ccccc1)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(phenylmethoxycarbonylamino)acetate?
The InChIKey is PTCLOMBRCRHIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O6/c16-11-7-19(14(22)18-13(11)21)9-25-12(20)6-17-15(23)24-8-10-4-2-1-3-5-10/h1-5,7H,6,8-9H2,(H,17,23)(H,18,21,22).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(phenylmethoxycarbonylamino)acetate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(phenylmethoxycarbonylamino)acetate has a molecular weight of 351.29 g/mol, XLogP of 0.10, 6 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-(phenylmethoxycarbonylamino)acetate is sourced from PubChem (CID 3087572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).