4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid

C14H20N2O5 — CID 106498288

IUPAC4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCCc1cn(CC2(O)CCC(C(=O)O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N2O5/c1-2-9-7-16(13(20)15-11(9)17)8-14(21)5-3-10(4-6-14)12(18)19/h7,10,21H,2-6,8H2,1H3,(H,18,19)(H,15,17,20)
InChIKeyGWQXPRHQQSNMPF-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.10
Rot. Bonds4

About 4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 106498288) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID106498288
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCCc1cn(CC2(O)CCC(C(=O)O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N2O5/c1-2-9-7-16(13(20)15-11(9)17)8-14(21)5-3-10(4-6-14)12(18)19/h7,10,21H,2-6,8H2,1H3,(H,18,19)(H,15,17,20)
InChIKeyGWQXPRHQQSNMPF-UHFFFAOYSA-N
XLogP0.10
TPSA112.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 106498288) is 4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid is CCc1cn(CC2(O)CCC(C(=O)O)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is GWQXPRHQQSNMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-2-9-7-16(13(20)15-11(9)17)8-14(21)5-3-10(4-6-14)12(18)19/h7,10,21H,2-6,8H2,1H3,(H,18,19)(H,15,17,20).
What are the key properties of 4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).