1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid

C13H18O2S — CID 10944490

IUPAC1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(CCC2(C(=O)O)CCCC2)s1
InChIInChI=1S/C13H18O2S/c1-10-4-5-11(16-10)6-9-13(12(14)15)7-2-3-8-13/h4-5H,2-3,6-9H2,1H3,(H,14,15)
InChIKeyPTJFIZHSXDVNMF-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.63
Rot. Bonds4

About 1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid

1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 10944490) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID10944490
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(CCC2(C(=O)O)CCCC2)s1
InChIInChI=1S/C13H18O2S/c1-10-4-5-11(16-10)6-9-13(12(14)15)7-2-3-8-13/h4-5H,2-3,6-9H2,1H3,(H,14,15)
InChIKeyPTJFIZHSXDVNMF-UHFFFAOYSA-N
XLogP3.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic 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

1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid
CID 103005051
(3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97141674
1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362670
N-[1-(aminomethyl)cyclopentyl]-4-(5-methylthiophen-2-yl)butanamide
CID 119568060
4-[[[2-(5-methylthiophen-2-yl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542368
1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide
CID 119317853
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79426418
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid
CID 66025958
1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid
CID 63774592
N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide
CID 111859435
1-propylcyclooctane-1-carboxylic acid
CID 80611944

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid (CID 10944490) is 1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid is Cc1ccc(CCC2(C(=O)O)CCCC2)s1.
What is the InChIKey of 1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is PTJFIZHSXDVNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-10-4-5-11(16-10)6-9-13(12(14)15)7-2-3-8-13/h4-5H,2-3,6-9H2,1H3,(H,14,15).
What are the key properties of 1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid?
1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 238.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 10944490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).