2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid

C15H20O3S — CID 57210171

IUPAC2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid
SMILESO=C(O)CC1CCCC1C=CC(O)Cc1cccs1
InChIInChI=1S/C15H20O3S/c16-13(10-14-5-2-8-19-14)7-6-11-3-1-4-12(11)9-15(17)18/h2,5-8,11-13,16H,1,3-4,9-10H2,(H,17,18)
InChIKeyCLDAYXWYTUSPHQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.10
Rot. Bonds6

About 2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid

2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid (PubChem CID 57210171) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid
PubChem CID57210171
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid
SMILESO=C(O)CC1CCCC1C=CC(O)Cc1cccs1
InChIInChI=1S/C15H20O3S/c16-13(10-14-5-2-8-19-14)7-6-11-3-1-4-12(11)9-15(17)18/h2,5-8,11-13,16H,1,3-4,9-10H2,(H,17,18)
InChIKeyCLDAYXWYTUSPHQ-UHFFFAOYSA-N
XLogP3.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
1-cyclohexyl-4-thiophen-2-ylbutan-2-one
CID 114973276
7-[(2S)-2-(4-hydroxy-5-thiophen-2-ylpentyl)-4-oxoazetidin-1-yl]heptanoic acid
CID 58751504
2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 63292234
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091889
2-[(2S,3R)-1-ethyl-2-thiophen-2-ylpyrrolidin-3-yl]acetic acid
CID 96591997
1-cyclopentyl-5-thiophen-2-ylpentan-2-one
CID 105092183
1-(2-ethylcyclohexyl)-2-thiophen-2-ylethanamine
CID 63861303

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid (CID 57210171) is 2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid is O=C(O)CC1CCCC1C=CC(O)Cc1cccs1.
What is the InChIKey of 2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid?
The InChIKey is CLDAYXWYTUSPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3S/c16-13(10-14-5-2-8-19-14)7-6-11-3-1-4-12(11)9-15(17)18/h2,5-8,11-13,16H,1,3-4,9-10H2,(H,17,18).
What are the key properties of 2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid?
2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid has a molecular weight of 280.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid is sourced from PubChem (CID 57210171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).