(3R)-3-thiophen-3-ylpentanoic acid

C9H12O2S — CID 96747176

IUPAC(3R)-3-thiophen-3-ylpentanoic acid
SMILESCC[C@H](CC(=O)O)c1ccsc1
InChIInChI=1S/C9H12O2S/c1-2-7(5-9(10)11)8-3-4-12-6-8/h3-4,6-7H,2,5H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyIFPZODBKNSCUFH-SSDOTTSWSA-N
MW184.26 g/mol
LogP2.72
Rot. Bonds4

About (3R)-3-thiophen-3-ylpentanoic acid

(3R)-3-thiophen-3-ylpentanoic acid (PubChem CID 96747176) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is (3R)-3-thiophen-3-ylpentanoic acid.

Molecular Properties

Compound Name(3R)-3-thiophen-3-ylpentanoic acid
PubChem CID96747176
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name(3R)-3-thiophen-3-ylpentanoic acid
SMILESCC[C@H](CC(=O)O)c1ccsc1
InChIInChI=1S/C9H12O2S/c1-2-7(5-9(10)11)8-3-4-12-6-8/h3-4,6-7H,2,5H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyIFPZODBKNSCUFH-SSDOTTSWSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-thiophen-3-ylpentanoic acid?
The IUPAC name of (3R)-3-thiophen-3-ylpentanoic acid (CID 96747176) is (3R)-3-thiophen-3-ylpentanoic acid.
What is the SMILES notation for (3R)-3-thiophen-3-ylpentanoic acid?
The canonical SMILES for (3R)-3-thiophen-3-ylpentanoic acid is CC[C@H](CC(=O)O)c1ccsc1.
What is the InChIKey of (3R)-3-thiophen-3-ylpentanoic acid?
The InChIKey is IFPZODBKNSCUFH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12O2S/c1-2-7(5-9(10)11)8-3-4-12-6-8/h3-4,6-7H,2,5H2,1H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (3R)-3-thiophen-3-ylpentanoic acid?
(3R)-3-thiophen-3-ylpentanoic acid has a molecular weight of 184.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-thiophen-3-ylpentanoic acid is sourced from PubChem (CID 96747176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).