2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid

C10H14O3 — CID 55277575

IUPAC2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid
SMILESCC1(C)C=CCC1(C)C(=O)C(=O)O
InChIInChI=1S/C10H14O3/c1-9(2)5-4-6-10(9,3)7(11)8(12)13/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeySUOOGXJBSLMQCM-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.63
Rot. Bonds2

About 2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid

2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid (PubChem CID 55277575) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid
PubChem CID55277575
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid
SMILESCC1(C)C=CCC1(C)C(=O)C(=O)O
InChIInChI=1S/C10H14O3/c1-9(2)5-4-6-10(9,3)7(11)8(12)13/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeySUOOGXJBSLMQCM-UHFFFAOYSA-N
XLogP1.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid?
The IUPAC name of 2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid (CID 55277575) is 2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid.
What is the SMILES notation for 2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid?
The canonical SMILES for 2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid is CC1(C)C=CCC1(C)C(=O)C(=O)O.
What is the InChIKey of 2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid?
The InChIKey is SUOOGXJBSLMQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-9(2)5-4-6-10(9,3)7(11)8(12)13/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of 2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid?
2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid has a molecular weight of 182.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid is sourced from PubChem (CID 55277575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).