(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid

C9H10N2O5 — CID 23268762

IUPAC(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H10N2O5/c12-6-3-4-11(9(15)10-6)7-2-1-5(16-7)8(13)14/h3-5,7H,1-2H2,(H,13,14)(H,10,12,15)/t5-,7-/m0/s1
InChIKeyYQQMCBGLBJQCKY-FSPLSTOPSA-N
MW226.19 g/mol
LogP-0.70
Rot. Bonds2

About (2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid

(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid (PubChem CID 23268762) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is (2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
PubChem CID23268762
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H10N2O5/c12-6-3-4-11(9(15)10-6)7-2-1-5(16-7)8(13)14/h3-5,7H,1-2H2,(H,13,14)(H,10,12,15)/t5-,7-/m0/s1
InChIKeyYQQMCBGLBJQCKY-FSPLSTOPSA-N
XLogP-0.70
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 11356875
5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
CID 169252397
1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 23261037
1-[(2R,5S)-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70373655
1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082493
1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 144767264
methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70849208
1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 170586971
ethane;1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;propane-2,2-diol
CID 163227427
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid?
The IUPAC name of (2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid (CID 23268762) is (2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid?
The canonical SMILES for (2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid is O=C(O)[C@@H]1CC[C@@H](n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of (2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid?
The InChIKey is YQQMCBGLBJQCKY-FSPLSTOPSA-N. The full InChI is InChI=1S/C9H10N2O5/c12-6-3-4-11(9(15)10-6)7-2-1-5(16-7)8(13)14/h3-5,7H,1-2H2,(H,13,14)(H,10,12,15)/t5-,7-/m0/s1.
What are the key properties of (2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid?
(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid has a molecular weight of 226.19 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid is sourced from PubChem (CID 23268762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).