3-pyrimidin-2-ylpropanoic acid

C7H8N2O2 — CID 5152885

IUPAC3-pyrimidin-2-ylpropanoic acid
SMILESO=C(O)CCc1ncccn1
InChIInChI=1S/C7H8N2O2/c10-7(11)3-2-6-8-4-1-5-9-6/h1,4-5H,2-3H2,(H,10,11)
InChIKeyUXTNNDRHOGJJFE-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.49
Rot. Bonds3

About 3-pyrimidin-2-ylpropanoic acid

3-pyrimidin-2-ylpropanoic acid (PubChem CID 5152885) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3-pyrimidin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-pyrimidin-2-ylpropanoic acid
PubChem CID5152885
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name3-pyrimidin-2-ylpropanoic acid
SMILESO=C(O)CCc1ncccn1
InChIInChI=1S/C7H8N2O2/c10-7(11)3-2-6-8-4-1-5-9-6/h1,4-5H,2-3H2,(H,10,11)
InChIKeyUXTNNDRHOGJJFE-UHFFFAOYSA-N
XLogP0.49
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-ylpropanoic acid?
The IUPAC name of 3-pyrimidin-2-ylpropanoic acid (CID 5152885) is 3-pyrimidin-2-ylpropanoic acid.
What is the SMILES notation for 3-pyrimidin-2-ylpropanoic acid?
The canonical SMILES for 3-pyrimidin-2-ylpropanoic acid is O=C(O)CCc1ncccn1.
What is the InChIKey of 3-pyrimidin-2-ylpropanoic acid?
The InChIKey is UXTNNDRHOGJJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-7(11)3-2-6-8-4-1-5-9-6/h1,4-5H,2-3H2,(H,10,11).
What are the key properties of 3-pyrimidin-2-ylpropanoic acid?
3-pyrimidin-2-ylpropanoic acid has a molecular weight of 152.15 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-ylpropanoic acid is sourced from PubChem (CID 5152885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).