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

C10H12N2O3 — CID 84675924

IUPAC2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESO=C(O)Cc1cnc(=O)[nH]c1C1CCC1
InChIInChI=1S/C10H12N2O3/c13-8(14)4-7-5-11-10(15)12-9(7)6-2-1-3-6/h5-6H,1-4H2,(H,13,14)(H,11,12,15)
InChIKeyRZVZALLUJLAQPJ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.66
Rot. Bonds3

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

2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 84675924) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID84675924
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESO=C(O)Cc1cnc(=O)[nH]c1C1CCC1
InChIInChI=1S/C10H12N2O3/c13-8(14)4-7-5-11-10(15)12-9(7)6-2-1-3-6/h5-6H,1-4H2,(H,13,14)(H,11,12,15)
InChIKeyRZVZALLUJLAQPJ-UHFFFAOYSA-N
XLogP0.66
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (CID 84675924) is 2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is O=C(O)Cc1cnc(=O)[nH]c1C1CCC1.
What is the InChIKey of 2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is RZVZALLUJLAQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-8(14)4-7-5-11-10(15)12-9(7)6-2-1-3-6/h5-6H,1-4H2,(H,13,14)(H,11,12,15).
What are the key properties of 2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 84675924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).