2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid

C15H22N2O6 — CID 174012917

IUPAC2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid
SMILESCCCC(C)C1CC[C@H](n2cc(OCC(=O)O)c(=O)[nH]c2=O)O1
InChIInChI=1S/C15H22N2O6/c1-3-4-9(2)10-5-6-12(23-10)17-7-11(22-8-13(18)19)14(20)16-15(17)21/h7,9-10,12H,3-6,8H2,1-2H3,(H,18,19)(H,16,20,21)/t9?,10?,12-/m1/s1
InChIKeyIETJLIWRISJNSA-RTYFJBAXSA-N
MW326.35 g/mol
LogP1.11
Rot. Bonds7

About 2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid

2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid (PubChem CID 174012917) has the molecular formula C15H22N2O6 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid
PubChem CID174012917
Molecular FormulaC15H22N2O6
Molecular Weight326.35 g/mol
Exact Mass326.15
IUPAC Name2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid
SMILESCCCC(C)C1CC[C@H](n2cc(OCC(=O)O)c(=O)[nH]c2=O)O1
InChIInChI=1S/C15H22N2O6/c1-3-4-9(2)10-5-6-12(23-10)17-7-11(22-8-13(18)19)14(20)16-15(17)21/h7,9-10,12H,3-6,8H2,1-2H3,(H,18,19)(H,16,20,21)/t9?,10?,12-/m1/s1
InChIKeyIETJLIWRISJNSA-RTYFJBAXSA-N
XLogP1.11
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid with MolForge

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Related Compounds

9H-fluoren-9-ylmethoxycarbonyl 2-[1-[5-(3-methylpentan-2-yl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate
CID 138706109
methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate
CID 169201569
2-[1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetic acid
CID 123211349
1-[(2R,5S)-5-[(2R)-1-diethoxyphosphorylpropan-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 88880803
2-(1-methyl-2,4-dioxopyrimidin-5-yl)oxyacetic acid
CID 21087714
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 169201537
[2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate
CID 138706175
1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 139418563
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate
CID 164881982
5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 69173347
(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 11356875
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propanoate
CID 67831429

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid?
The IUPAC name of 2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid (CID 174012917) is 2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid.
What is the SMILES notation for 2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid?
The canonical SMILES for 2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid is CCCC(C)C1CC[C@H](n2cc(OCC(=O)O)c(=O)[nH]c2=O)O1.
What is the InChIKey of 2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid?
The InChIKey is IETJLIWRISJNSA-RTYFJBAXSA-N. The full InChI is InChI=1S/C15H22N2O6/c1-3-4-9(2)10-5-6-12(23-10)17-7-11(22-8-13(18)19)14(20)16-15(17)21/h7,9-10,12H,3-6,8H2,1-2H3,(H,18,19)(H,16,20,21)/t9?,10?,12-/m1/s1.
What are the key properties of 2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid?
2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid has a molecular weight of 326.35 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid is sourced from PubChem (CID 174012917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).