2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid

C11H14O2S — CID 83934845

IUPAC2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid
SMILESCC(CC1CC1C(=O)O)c1cccs1
InChIInChI=1S/C11H14O2S/c1-7(10-3-2-4-14-10)5-8-6-9(8)11(12)13/h2-4,7-9H,5-6H2,1H3,(H,12,13)
InChIKeyJLUHQSUYUYWIBB-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.96
Rot. Bonds4

About 2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid

2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid (PubChem CID 83934845) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid
PubChem CID83934845
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid
SMILESCC(CC1CC1C(=O)O)c1cccs1
InChIInChI=1S/C11H14O2S/c1-7(10-3-2-4-14-10)5-8-6-9(8)11(12)13/h2-4,7-9H,5-6H2,1H3,(H,12,13)
InChIKeyJLUHQSUYUYWIBB-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83928800
trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
CID 94420067
2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid
CID 70067264
1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid
CID 96927128
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 83936147
2-[2-(4-propylsulfanylphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83935803
4-methyl-2-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 81020795
2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975012
2-(2-thiophen-2-ylpropyl)pyrrolidine
CID 112715427
4-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390819
1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103257817

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid (CID 83934845) is 2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid is CC(CC1CC1C(=O)O)c1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid?
The InChIKey is JLUHQSUYUYWIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-7(10-3-2-4-14-10)5-8-6-9(8)11(12)13/h2-4,7-9H,5-6H2,1H3,(H,12,13).
What are the key properties of 2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid?
2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid has a molecular weight of 210.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83934845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).