(2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate

C11H10FN3O6 — CID 123881721

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
SMILESO=C(CCn1cc(F)c(=O)[nH]c1=O)On1c(O)ccc1O
InChIInChI=1S/C11H10FN3O6/c12-6-5-14(11(20)13-10(6)19)4-3-9(18)21-15-7(16)1-2-8(15)17/h1-2,5,16-17H,3-4H2,(H,13,19,20)
InChIKeyGOAGRJOLDHDZFT-UHFFFAOYSA-N
MW299.21 g/mol
LogP-1.07
Rot. Bonds4

About (2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate

(2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate (PubChem CID 123881721) has the molecular formula C11H10FN3O6 and a molecular weight of 299.21 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
PubChem CID123881721
Molecular FormulaC11H10FN3O6
Molecular Weight299.21 g/mol
Exact Mass299.06
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
SMILESO=C(CCn1cc(F)c(=O)[nH]c1=O)On1c(O)ccc1O
InChIInChI=1S/C11H10FN3O6/c12-6-5-14(11(20)13-10(6)19)4-3-9(18)21-15-7(16)1-2-8(15)17/h1-2,5,16-17H,3-4H2,(H,13,19,20)
InChIKeyGOAGRJOLDHDZFT-UHFFFAOYSA-N
XLogP-1.07
TPSA126.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 53720774
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 53902524
N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 54505583
(2,5-dihydroxypyrrol-1-yl) 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanoate
CID 90873769
(2,5-Dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 90957654
(2,5-Dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 91465498
(2,5-Dihydroxypyrrol-1-yl) 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
CID 91535317
(2,5-Dihydroxypyrrol-1-yl) 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoate
CID 123963877
(2,5-Dihydroxypyrrol-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate
CID 53928962
(2,5-Dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate
CID 54156035
3-[[3-(2,5-Dihydroxypyrrol-1-yl)oxy-3-oxopropyl]-(2-iodoacetyl)amino]propanoic acid
CID 54253044
(2,5-Dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)butanoate
CID 54360209

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate (CID 123881721) is (2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate is O=C(CCn1cc(F)c(=O)[nH]c1=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate?
The InChIKey is GOAGRJOLDHDZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O6/c12-6-5-14(11(20)13-10(6)19)4-3-9(18)21-15-7(16)1-2-8(15)17/h1-2,5,16-17H,3-4H2,(H,13,19,20).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate?
(2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate has a molecular weight of 299.21 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 123881721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).