2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid

C10H12N2O4 — CID 83852450

IUPAC2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)[nH]c(=O)n1C1CCC1
InChIInChI=1S/C10H12N2O4/c13-8-4-7(5-9(14)15)12(10(16)11-8)6-2-1-3-6/h4,6H,1-3,5H2,(H,14,15)(H,11,13,16)
InChIKeyNVEWQJPRLRRSMH-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.11
Rot. Bonds3

About 2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid

2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid (PubChem CID 83852450) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid
PubChem CID83852450
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)[nH]c(=O)n1C1CCC1
InChIInChI=1S/C10H12N2O4/c13-8-4-7(5-9(14)15)12(10(16)11-8)6-2-1-3-6/h4,6H,1-3,5H2,(H,14,15)(H,11,13,16)
InChIKeyNVEWQJPRLRRSMH-UHFFFAOYSA-N
XLogP-0.11
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid (CID 83852450) is 2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid is O=C(O)Cc1cc(=O)[nH]c(=O)n1C1CCC1.
What is the InChIKey of 2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid?
The InChIKey is NVEWQJPRLRRSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-8-4-7(5-9(14)15)12(10(16)11-8)6-2-1-3-6/h4,6H,1-3,5H2,(H,14,15)(H,11,13,16).
What are the key properties of 2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid?
2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid has a molecular weight of 224.22 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).