(2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid

C13H18O2S — CID 68974861

IUPAC(2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid
SMILESCc1ccc([C@@](C)(C(=O)O)C2CCCC2)s1
InChIInChI=1S/C13H18O2S/c1-9-7-8-11(16-9)13(2,12(14)15)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,14,15)/t13-/m0/s1
InChIKeyIVVSFXSPMUHIDP-ZDUSSCGKSA-N
MW238.35 g/mol
LogP3.59
Rot. Bonds3

About (2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid

(2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid (PubChem CID 68974861) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid
PubChem CID68974861
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name(2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid
SMILESCc1ccc([C@@](C)(C(=O)O)C2CCCC2)s1
InChIInChI=1S/C13H18O2S/c1-9-7-8-11(16-9)13(2,12(14)15)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,14,15)/t13-/m0/s1
InChIKeyIVVSFXSPMUHIDP-ZDUSSCGKSA-N
XLogP3.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid?
The IUPAC name of (2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid (CID 68974861) is (2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid.
What is the SMILES notation for (2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid?
The canonical SMILES for (2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid is Cc1ccc([C@@](C)(C(=O)O)C2CCCC2)s1.
What is the InChIKey of (2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid?
The InChIKey is IVVSFXSPMUHIDP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18O2S/c1-9-7-8-11(16-9)13(2,12(14)15)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,14,15)/t13-/m0/s1.
What are the key properties of (2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid?
(2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid has a molecular weight of 238.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid is sourced from PubChem (CID 68974861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).