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

C10H12N2O5 — CID 11356875

IUPAC(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
SMILESCc1cn([C@@H]2CC[C@H](C(=O)O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O5/c1-5-4-12(10(16)11-8(5)13)7-3-2-6(17-7)9(14)15/h4,6-7H,2-3H2,1H3,(H,14,15)(H,11,13,16)/t6-,7+/m1/s1
InChIKeyPPVRVNADLRJDKD-RQJHMYQMSA-N
MW240.21 g/mol
LogP-0.39
Rot. Bonds2

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

(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid (PubChem CID 11356875) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is (2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
PubChem CID11356875
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
SMILESCc1cn([C@@H]2CC[C@H](C(=O)O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O5/c1-5-4-12(10(16)11-8(5)13)7-3-2-6(17-7)9(14)15/h4,6-7H,2-3H2,1H3,(H,14,15)(H,11,13,16)/t6-,7+/m1/s1
InChIKeyPPVRVNADLRJDKD-RQJHMYQMSA-N
XLogP-0.39
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71028658
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 23268762
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole
CID 67930071
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate
CID 164881982
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propanoate
CID 67831429
(2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid
CID 70367258
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 170193041
methanethiol;[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxythallium
CID 142985854
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid
CID 166965850
ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 142985863

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid (CID 11356875) is (2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid is Cc1cn([C@@H]2CC[C@H](C(=O)O)O2)c(=O)[nH]c1=O.
What is the InChIKey of (2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid?
The InChIKey is PPVRVNADLRJDKD-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-5-4-12(10(16)11-8(5)13)7-3-2-6(17-7)9(14)15/h4,6-7H,2-3H2,1H3,(H,14,15)(H,11,13,16)/t6-,7+/m1/s1.
What are the key properties of (2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid?
(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid has a molecular weight of 240.21 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid is sourced from PubChem (CID 11356875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).