3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid

C15H14N2O4 — CID 79735334

IUPAC3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1Oc1ncnc2c1CCC2
InChIInChI=1S/C15H14N2O4/c1-20-12-6-5-9(15(18)19)7-13(12)21-14-10-3-2-4-11(10)16-8-17-14/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyKNGZXXAHMAAWMY-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.46
Rot. Bonds4

About 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid

3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid (PubChem CID 79735334) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid
PubChem CID79735334
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1Oc1ncnc2c1CCC2
InChIInChI=1S/C15H14N2O4/c1-20-12-6-5-9(15(18)19)7-13(12)21-14-10-3-2-4-11(10)16-8-17-14/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyKNGZXXAHMAAWMY-UHFFFAOYSA-N
XLogP2.46
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid?
The IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid (CID 79735334) is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid?
The canonical SMILES for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1Oc1ncnc2c1CCC2.
What is the InChIKey of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid?
The InChIKey is KNGZXXAHMAAWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-20-12-6-5-9(15(18)19)7-13(12)21-14-10-3-2-4-11(10)16-8-17-14/h5-8H,2-4H2,1H3,(H,18,19).
What are the key properties of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid?
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-4-methoxybenzoic acid is sourced from PubChem (CID 79735334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).