2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid

C8H10O4 — CID 90208052

IUPAC2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid
SMILESCOC1=CC(=O)C(CC(=O)O)C1
InChIInChI=1S/C8H10O4/c1-12-6-2-5(3-8(10)11)7(9)4-6/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyHFIIXZHKJDCLOW-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.58
Rot. Bonds3

About 2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid

2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid (PubChem CID 90208052) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid
PubChem CID90208052
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid
SMILESCOC1=CC(=O)C(CC(=O)O)C1
InChIInChI=1S/C8H10O4/c1-12-6-2-5(3-8(10)11)7(9)4-6/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyHFIIXZHKJDCLOW-UHFFFAOYSA-N
XLogP0.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid?
The IUPAC name of 2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid (CID 90208052) is 2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid?
The canonical SMILES for 2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid is COC1=CC(=O)C(CC(=O)O)C1.
What is the InChIKey of 2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid?
The InChIKey is HFIIXZHKJDCLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-12-6-2-5(3-8(10)11)7(9)4-6/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid?
2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid has a molecular weight of 170.16 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-oxocyclopent-3-en-1-yl)acetic acid is sourced from PubChem (CID 90208052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).