2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid

C10H11ClO2S — CID 68972905

IUPAC2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid
SMILESO=C(O)C(c1ccc(Cl)s1)C1CCC1
InChIInChI=1S/C10H11ClO2S/c11-8-5-4-7(14-8)9(10(12)13)6-2-1-3-6/h4-6,9H,1-3H2,(H,12,13)
InChIKeyZKHPBVKGUNCRIQ-UHFFFAOYSA-N
MW230.72 g/mol
LogP3.37
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid

2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid (PubChem CID 68972905) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid
PubChem CID68972905
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Name2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid
SMILESO=C(O)C(c1ccc(Cl)s1)C1CCC1
InChIInChI=1S/C10H11ClO2S/c11-8-5-4-7(14-8)9(10(12)13)6-2-1-3-6/h4-6,9H,1-3H2,(H,12,13)
InChIKeyZKHPBVKGUNCRIQ-UHFFFAOYSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171200582
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781
1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056478
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926
1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
CID 115863512
2-[2-(5-chlorothiophen-2-yl)propanoylamino]-3-cyclopropylpropanoic acid
CID 120535867
2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol
CID 82076672
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051
(5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 62720041
4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783143
(5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105119690
2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene
CID 107182037

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid (CID 68972905) is 2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid is O=C(O)C(c1ccc(Cl)s1)C1CCC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid?
The InChIKey is ZKHPBVKGUNCRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S/c11-8-5-4-7(14-8)9(10(12)13)6-2-1-3-6/h4-6,9H,1-3H2,(H,12,13).
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid?
2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid has a molecular weight of 230.72 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid is sourced from PubChem (CID 68972905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).