3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid

C8H10N2O3 — CID 84658325

IUPAC3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
SMILESCc1[nH]c(=O)ncc1CCC(=O)O
InChIInChI=1S/C8H10N2O3/c1-5-6(2-3-7(11)12)4-9-8(13)10-5/h4H,2-3H2,1H3,(H,11,12)(H,9,10,13)
InChIKeyABUBZLGRHPJYMN-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.10
Rot. Bonds3

About 3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid

3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid (PubChem CID 84658325) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
PubChem CID84658325
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
SMILESCc1[nH]c(=O)ncc1CCC(=O)O
InChIInChI=1S/C8H10N2O3/c1-5-6(2-3-7(11)12)4-9-8(13)10-5/h4H,2-3H2,1H3,(H,11,12)(H,9,10,13)
InChIKeyABUBZLGRHPJYMN-UHFFFAOYSA-N
XLogP0.10
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid (CID 84658325) is 3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid is Cc1[nH]c(=O)ncc1CCC(=O)O.
What is the InChIKey of 3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The InChIKey is ABUBZLGRHPJYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-6(2-3-7(11)12)4-9-8(13)10-5/h4H,2-3H2,1H3,(H,11,12)(H,9,10,13).
What are the key properties of 3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 84658325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).