3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid

C16H24N2O3 — CID 63829241

IUPAC3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(CC2(C)CCCC2)c(C)c1CCC(=O)O
InChIInChI=1S/C16H24N2O3/c1-11-13(6-7-14(19)20)12(2)18(15(21)17-11)10-16(3)8-4-5-9-16/h4-10H2,1-3H3,(H,19,20)
InChIKeyUUALLPZAEULUQA-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.46
Rot. Bonds5

About 3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid

3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid (PubChem CID 63829241) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid
PubChem CID63829241
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(CC2(C)CCCC2)c(C)c1CCC(=O)O
InChIInChI=1S/C16H24N2O3/c1-11-13(6-7-14(19)20)12(2)18(15(21)17-11)10-16(3)8-4-5-9-16/h4-10H2,1-3H3,(H,19,20)
InChIKeyUUALLPZAEULUQA-UHFFFAOYSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid (CID 63829241) is 3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid is Cc1nc(=O)n(CC2(C)CCCC2)c(C)c1CCC(=O)O.
What is the InChIKey of 3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid?
The InChIKey is UUALLPZAEULUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-13(6-7-14(19)20)12(2)18(15(21)17-11)10-16(3)8-4-5-9-16/h4-10H2,1-3H3,(H,19,20).
What are the key properties of 3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid?
3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 63829241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).