Cyclopentanepropionic acid, 2-oxo-1-phenyl-

C14H16O3 — CID 99796

IUPAC3-(2-oxo-1-phenylcyclopentyl)propanoic acid
SMILESC1CC(=O)C(C1)(CCC(=O)O)C2=CC=CC=C2
InChIInChI=1S/C14H16O3/c15-12-7-4-9-14(12,10-8-13(16)17)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,16,17)
InChIKeyFBUOKAZGLNYOTA-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.80
Rot. Bonds4

About Cyclopentanepropionic acid, 2-oxo-1-phenyl-

Cyclopentanepropionic acid, 2-oxo-1-phenyl- (PubChem CID 99796) has the molecular formula C14H16O3 and a molecular weight of 232.27 g/mol. Its IUPAC name is 3-(2-oxo-1-phenylcyclopentyl)propanoic acid.

Molecular Properties

Compound NameCyclopentanepropionic acid, 2-oxo-1-phenyl-
PubChem CID99796
Molecular FormulaC14H16O3
Molecular Weight232.27 g/mol
Exact Mass232.11
IUPAC Name3-(2-oxo-1-phenylcyclopentyl)propanoic acid
SMILESC1CC(=O)C(C1)(CCC(=O)O)C2=CC=CC=C2
InChIInChI=1S/C14H16O3/c15-12-7-4-9-14(12,10-8-13(16)17)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,16,17)
InChIKeyFBUOKAZGLNYOTA-UHFFFAOYSA-N
XLogP1.80
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity305

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Cyclopentanepropionic acid, 2-oxo-1-phenyl-?
The IUPAC name of Cyclopentanepropionic acid, 2-oxo-1-phenyl- (CID 99796) is 3-(2-oxo-1-phenylcyclopentyl)propanoic acid.
What is the SMILES notation for Cyclopentanepropionic acid, 2-oxo-1-phenyl-?
The canonical SMILES for Cyclopentanepropionic acid, 2-oxo-1-phenyl- is C1CC(=O)C(C1)(CCC(=O)O)C2=CC=CC=C2.
What is the InChIKey of Cyclopentanepropionic acid, 2-oxo-1-phenyl-?
The InChIKey is FBUOKAZGLNYOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-12-7-4-9-14(12,10-8-13(16)17)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,16,17).
What are the key properties of Cyclopentanepropionic acid, 2-oxo-1-phenyl-?
Cyclopentanepropionic acid, 2-oxo-1-phenyl- has a molecular weight of 232.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclopentanepropionic acid, 2-oxo-1-phenyl- is sourced from PubChem (CID 99796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).