[2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate

C17H20N2O6 — CID 160757175

IUPAC[2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
SMILESCC[C@H](CO)OC(COC(=O)c1ccccc1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C17H20N2O6/c1-2-13(10-20)25-15(19-9-8-14(21)18-17(19)23)11-24-16(22)12-6-4-3-5-7-12/h3-9,13,15,20H,2,10-11H2,1H3,(H,18,21,23)/t13-,15?/m1/s1
InChIKeyJRRHJAIRLZODLZ-AFYYWNPRSA-N
MW348.36 g/mol
LogP0.68
Rot. Bonds8

About [2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate

[2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate (PubChem CID 160757175) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is [2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate.

Molecular Properties

Compound Name[2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
PubChem CID160757175
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name[2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
SMILESCC[C@H](CO)OC(COC(=O)c1ccccc1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C17H20N2O6/c1-2-13(10-20)25-15(19-9-8-14(21)18-17(19)23)11-24-16(22)12-6-4-3-5-7-12/h3-9,13,15,20H,2,10-11H2,1H3,(H,18,21,23)/t13-,15?/m1/s1
InChIKeyJRRHJAIRLZODLZ-AFYYWNPRSA-N
XLogP0.68
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(1,3-dihydroxypropan-2-yloxy)-2-(2,4-dioxopyrimidin-1-yl)ethyl] benzoate
CID 166684380
[(2R)-2-[(1S)-1-(2,4-dioxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropyl] benzoate
CID 7044802
1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 160757174
[(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
CID 70904334
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
[(2R)-2-(6-benzamidopurin-9-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
CID 70904333
1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593
1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 155149316
2-(2,4-dioxopyrimidin-1-yl)ethyl benzoate
CID 151246005
1-[(1R)-1-[(2S)-1-[hydroxy(2-hydroxyethyl)phosphinothioyl]oxy-3-methoxypropan-2-yl]oxy-2-methoxyethyl]pyrimidine-2,4-dione
CID 170179484
1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione
CID 118667648
(2S)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]butanal
CID 159995900

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate?
The IUPAC name of [2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate (CID 160757175) is [2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate.
What is the SMILES notation for [2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate?
The canonical SMILES for [2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate is CC[C@H](CO)OC(COC(=O)c1ccccc1)n1ccc(=O)[nH]c1=O.
What is the InChIKey of [2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate?
The InChIKey is JRRHJAIRLZODLZ-AFYYWNPRSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-2-13(10-20)25-15(19-9-8-14(21)18-17(19)23)11-24-16(22)12-6-4-3-5-7-12/h3-9,13,15,20H,2,10-11H2,1H3,(H,18,21,23)/t13-,15?/m1/s1.
What are the key properties of [2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate?
[2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate has a molecular weight of 348.36 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate is sourced from PubChem (CID 160757175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).