ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate

C11H16N2O6 — CID 101070065

IUPACethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate
SMILESCCOC(=O)[C@H](O)[C@H](O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O6/c1-3-19-10(17)8(15)7(14)5-13-4-6(2)9(16)12-11(13)18/h4,7-8,14-15H,3,5H2,1-2H3,(H,12,16,18)/t7-,8-/m1/s1
InChIKeyFJARNFYJYYNAFC-HTQZYQBOSA-N
MW272.26 g/mol
LogP-1.87
Rot. Bonds5

About ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate

ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate (PubChem CID 101070065) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate
PubChem CID101070065
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Nameethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate
SMILESCCOC(=O)[C@H](O)[C@H](O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O6/c1-3-19-10(17)8(15)7(14)5-13-4-6(2)9(16)12-11(13)18/h4,7-8,14-15H,3,5H2,1-2H3,(H,12,16,18)/t7-,8-/m1/s1
InChIKeyFJARNFYJYYNAFC-HTQZYQBOSA-N
XLogP-1.87
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate?
The IUPAC name of ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate (CID 101070065) is ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate.
What is the SMILES notation for ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate?
The canonical SMILES for ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate is CCOC(=O)[C@H](O)[C@H](O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate?
The InChIKey is FJARNFYJYYNAFC-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H16N2O6/c1-3-19-10(17)8(15)7(14)5-13-4-6(2)9(16)12-11(13)18/h4,7-8,14-15H,3,5H2,1-2H3,(H,12,16,18)/t7-,8-/m1/s1.
What are the key properties of ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate?
ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate has a molecular weight of 272.26 g/mol, XLogP of -1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate is sourced from PubChem (CID 101070065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).