2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid

C9H12O3 — CID 10511300

IUPAC2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid
SMILESCC1=C(CC(=O)O)C(=O)CC1C
InChIInChI=1S/C9H12O3/c1-5-3-8(10)7(6(5)2)4-9(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyCYGLJJWXHPTZLI-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.39
Rot. Bonds2

About 2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid

2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid (PubChem CID 10511300) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid
PubChem CID10511300
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid
SMILESCC1=C(CC(=O)O)C(=O)CC1C
InChIInChI=1S/C9H12O3/c1-5-3-8(10)7(6(5)2)4-9(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyCYGLJJWXHPTZLI-UHFFFAOYSA-N
XLogP1.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dimethyl-5-oxocyclopenten-1-yl)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

Related Compounds

(5R,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulene-5-carboxylic acid
CID 118711726
1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo-
CID 616835
7-(2,4,5-Trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)octanoic acid
CID 19088066
2,3-Dimethyl-4-oxo-2-cyclopentene-1-carboxylic acid
CID 129670889
2-[(1R,3aR,7aS)-1,3a,4,7a-tetramethyl-6-oxo-1,2,3,7-tetrahydroinden-5-yl]acetic acid
CID 166634390
Desepoxy-4,5-didehydromethylenomycin A
CID 102509096
(1S)-2-[(2S)-butan-2-yl]-3-methyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylic acid
CID 163111395
(1S)-3-methyl-5-methylidene-4-oxo-2-propan-2-ylcyclopent-2-ene-1-carboxylic acid
CID 163113844
(6R,7R)-7-(2-diazoacetyl)-6,7-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-1-one
CID 94037621
3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid
CID 578973
3-Methyl-2-cyclopentene-1,2-dicarboxylic acid
CID 4392337
2-Butyl-3-pentylcycloprop-2-ene-1-carboxylic acid
CID 11009204

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid?
The IUPAC name of 2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid (CID 10511300) is 2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid?
The canonical SMILES for 2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid is CC1=C(CC(=O)O)C(=O)CC1C.
What is the InChIKey of 2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid?
The InChIKey is CYGLJJWXHPTZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-5-3-8(10)7(6(5)2)4-9(11)12/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid?
2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid has a molecular weight of 168.19 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-5-oxocyclopenten-1-yl)acetic acid is sourced from PubChem (CID 10511300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).