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

C11H16N2O4 — CID 7053167

IUPACmethyl (3R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)butanoate
SMILESCOC(=O)C[C@@H](C)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O4/c1-7(5-9(14)17-4)8-6-12(2)11(16)13(3)10(8)15/h6-7H,5H2,1-4H3/t7-/m1/s1
InChIKeyAJIWCSBXZXYNFT-SSDOTTSWSA-N
MW240.26 g/mol
LogP-0.25
Rot. Bonds3

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

methyl (3R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)butanoate (PubChem CID 7053167) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl (3R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)butanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)butanoate
PubChem CID7053167
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl (3R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)butanoate
SMILESCOC(=O)C[C@@H](C)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O4/c1-7(5-9(14)17-4)8-6-12(2)11(16)13(3)10(8)15/h6-7H,5H2,1-4H3/t7-/m1/s1
InChIKeyAJIWCSBXZXYNFT-SSDOTTSWSA-N
XLogP-0.25
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)butanoate?
The IUPAC name of methyl (3R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)butanoate (CID 7053167) is methyl (3R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)butanoate.
What is the SMILES notation for methyl (3R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)butanoate?
The canonical SMILES for methyl (3R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)butanoate is COC(=O)C[C@@H](C)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of methyl (3R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)butanoate?
The InChIKey is AJIWCSBXZXYNFT-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(5-9(14)17-4)8-6-12(2)11(16)13(3)10(8)15/h6-7H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of methyl (3R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)butanoate?
methyl (3R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)butanoate has a molecular weight of 240.26 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)butanoate is sourced from PubChem (CID 7053167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).