2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid

C9H10N2O3 — CID 71563741

IUPAC2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2c(c1=O)CCC2
InChIInChI=1S/C9H10N2O3/c12-8(13)4-11-5-10-7-3-1-2-6(7)9(11)14/h5H,1-4H2,(H,12,13)
InChIKeyCTKYJZULXYOWIL-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.18
Rot. Bonds2

About 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid

2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid (PubChem CID 71563741) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid
PubChem CID71563741
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2c(c1=O)CCC2
InChIInChI=1S/C9H10N2O3/c12-8(13)4-11-5-10-7-3-1-2-6(7)9(11)14/h5H,1-4H2,(H,12,13)
InChIKeyCTKYJZULXYOWIL-UHFFFAOYSA-N
XLogP-0.18
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid (CID 71563741) is 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid is O=C(O)Cn1cnc2c(c1=O)CCC2.
What is the InChIKey of 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid?
The InChIKey is CTKYJZULXYOWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-8(13)4-11-5-10-7-3-1-2-6(7)9(11)14/h5H,1-4H2,(H,12,13).
What are the key properties of 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid?
2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid has a molecular weight of 194.19 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 71563741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).