2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid

C11H14N2O4 — CID 83852659

IUPAC2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid
SMILESCOc1cc(CC(=O)O)n(C2CCC2)c(=O)n1
InChIInChI=1S/C11H14N2O4/c1-17-9-5-8(6-10(14)15)13(11(16)12-9)7-3-2-4-7/h5,7H,2-4,6H2,1H3,(H,14,15)
InChIKeyZMAIVFBZUYQYOF-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.60
Rot. Bonds4

About 2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid

2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid (PubChem CID 83852659) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid
PubChem CID83852659
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid
SMILESCOc1cc(CC(=O)O)n(C2CCC2)c(=O)n1
InChIInChI=1S/C11H14N2O4/c1-17-9-5-8(6-10(14)15)13(11(16)12-9)7-3-2-4-7/h5,7H,2-4,6H2,1H3,(H,14,15)
InChIKeyZMAIVFBZUYQYOF-UHFFFAOYSA-N
XLogP0.60
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852077
2-(3-Cyclobutyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852184
2-(3-Ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid
CID 83852268
2-(3-Cyclopropyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid
CID 83852448
2-(6-Methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852487
2-(6-Chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852723

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid (CID 83852659) is 2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid is COc1cc(CC(=O)O)n(C2CCC2)c(=O)n1.
What is the InChIKey of 2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid?
The InChIKey is ZMAIVFBZUYQYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-17-9-5-8(6-10(14)15)13(11(16)12-9)7-3-2-4-7/h5,7H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid?
2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid has a molecular weight of 238.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).