2-(2-oxocyclopentyl)acetic acid

C7H10O3 — CID 3569983

IUPAC2-(2-oxocyclopentyl)acetic acid
SMILESO=C(O)CC1CCCC1=O
InChIInChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h5H,1-4H2,(H,9,10)
InChIKeyOLLLIBGOZUPLOK-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.83
Rot. Bonds2

About 2-(2-oxocyclopentyl)acetic acid

2-(2-oxocyclopentyl)acetic acid (PubChem CID 3569983) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-(2-oxocyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(2-oxocyclopentyl)acetic acid
PubChem CID3569983
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-(2-oxocyclopentyl)acetic acid
SMILESO=C(O)CC1CCCC1=O
InChIInChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h5H,1-4H2,(H,9,10)
InChIKeyOLLLIBGOZUPLOK-UHFFFAOYSA-N
XLogP0.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-oxocyclopentyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxocyclopentyl)acetic acid?
The IUPAC name of 2-(2-oxocyclopentyl)acetic acid (CID 3569983) is 2-(2-oxocyclopentyl)acetic acid.
What is the SMILES notation for 2-(2-oxocyclopentyl)acetic acid?
The canonical SMILES for 2-(2-oxocyclopentyl)acetic acid is O=C(O)CC1CCCC1=O.
What is the InChIKey of 2-(2-oxocyclopentyl)acetic acid?
The InChIKey is OLLLIBGOZUPLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h5H,1-4H2,(H,9,10).
What are the key properties of 2-(2-oxocyclopentyl)acetic acid?
2-(2-oxocyclopentyl)acetic acid has a molecular weight of 142.15 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxocyclopentyl)acetic acid is sourced from PubChem (CID 3569983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).