3-(2-chloroacetyl)cyclopentane-1-carboxylic acid

C8H11ClO3 — CID 172968794

IUPAC3-(2-chloroacetyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)CCl)C1
InChIInChI=1S/C8H11ClO3/c9-4-7(10)5-1-2-6(3-5)8(11)12/h5-6H,1-4H2,(H,11,12)
InChIKeyZQYJPUFVRYXWEV-UHFFFAOYSA-N
MW190.63 g/mol
LogP1.30
Rot. Bonds3

About 3-(2-chloroacetyl)cyclopentane-1-carboxylic acid

3-(2-chloroacetyl)cyclopentane-1-carboxylic acid (PubChem CID 172968794) has the molecular formula C8H11ClO3 and a molecular weight of 190.63 g/mol. Its IUPAC name is 3-(2-chloroacetyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-chloroacetyl)cyclopentane-1-carboxylic acid
PubChem CID172968794
Molecular FormulaC8H11ClO3
Molecular Weight190.63 g/mol
Exact Mass190.04
IUPAC Name3-(2-chloroacetyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)CCl)C1
InChIInChI=1S/C8H11ClO3/c9-4-7(10)5-1-2-6(3-5)8(11)12/h5-6H,1-4H2,(H,11,12)
InChIKeyZQYJPUFVRYXWEV-UHFFFAOYSA-N
XLogP1.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone
CID 118495999
2-(2-chloroacetyl)cyclohexane-1-carboxylic acid
CID 118009031
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cis-(1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid
CID 10888375
(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
CID 146210075
2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone
CID 13192855
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
CID 656716
bicyclo[4.1.0]heptane-3-carboxylic acid
CID 13203182

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroacetyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2-chloroacetyl)cyclopentane-1-carboxylic acid (CID 172968794) is 3-(2-chloroacetyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2-chloroacetyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2-chloroacetyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)CCl)C1.
What is the InChIKey of 3-(2-chloroacetyl)cyclopentane-1-carboxylic acid?
The InChIKey is ZQYJPUFVRYXWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO3/c9-4-7(10)5-1-2-6(3-5)8(11)12/h5-6H,1-4H2,(H,11,12).
What are the key properties of 3-(2-chloroacetyl)cyclopentane-1-carboxylic acid?
3-(2-chloroacetyl)cyclopentane-1-carboxylic acid has a molecular weight of 190.63 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroacetyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 172968794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).