3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid

C11H14N2O3 — CID 83858971

IUPAC3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid
SMILESCC(CC(=O)O)c1nc(=O)[nH]c2c1CCC2
InChIInChI=1S/C11H14N2O3/c1-6(5-9(14)15)10-7-3-2-4-8(7)12-11(16)13-10/h6H,2-5H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyNBWBDKGOCQBLDB-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.84
Rot. Bonds3

About 3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid

3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid (PubChem CID 83858971) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid.

Molecular Properties

Compound Name3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid
PubChem CID83858971
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid
SMILESCC(CC(=O)O)c1nc(=O)[nH]c2c1CCC2
InChIInChI=1S/C11H14N2O3/c1-6(5-9(14)15)10-7-3-2-4-8(7)12-11(16)13-10/h6H,2-5H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyNBWBDKGOCQBLDB-UHFFFAOYSA-N
XLogP0.84
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic 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 3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid?
The IUPAC name of 3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid (CID 83858971) is 3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid.
What is the SMILES notation for 3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid?
The canonical SMILES for 3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid is CC(CC(=O)O)c1nc(=O)[nH]c2c1CCC2.
What is the InChIKey of 3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid?
The InChIKey is NBWBDKGOCQBLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-6(5-9(14)15)10-7-3-2-4-8(7)12-11(16)13-10/h6H,2-5H2,1H3,(H,14,15)(H,12,13,16).
What are the key properties of 3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid?
3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid is sourced from PubChem (CID 83858971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).