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

C11H14N2O3 — CID 84687521

IUPAC3-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
SMILESO=C(O)CCc1cnc(=O)[nH]c1C1CCC1
InChIInChI=1S/C11H14N2O3/c14-9(15)5-4-8-6-12-11(16)13-10(8)7-2-1-3-7/h6-7H,1-5H2,(H,14,15)(H,12,13,16)
InChIKeyBTJGHGQSNCPZII-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.05
Rot. Bonds4

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

3-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid (PubChem CID 84687521) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
PubChem CID84687521
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
SMILESO=C(O)CCc1cnc(=O)[nH]c1C1CCC1
InChIInChI=1S/C11H14N2O3/c14-9(15)5-4-8-6-12-11(16)13-10(8)7-2-1-3-7/h6-7H,1-5H2,(H,14,15)(H,12,13,16)
InChIKeyBTJGHGQSNCPZII-UHFFFAOYSA-N
XLogP1.05
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid (CID 84687521) is 3-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid is O=C(O)CCc1cnc(=O)[nH]c1C1CCC1.
What is the InChIKey of 3-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The InChIKey is BTJGHGQSNCPZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-9(15)5-4-8-6-12-11(16)13-10(8)7-2-1-3-7/h6-7H,1-5H2,(H,14,15)(H,12,13,16).
What are the key properties of 3-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
3-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 84687521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).