3-methyl-5-thiophen-2-ylpentanoic acid

C10H14O2S — CID 10488191

IUPAC3-methyl-5-thiophen-2-ylpentanoic acid
SMILESCC(CCc1cccs1)CC(=O)O
InChIInChI=1S/C10H14O2S/c1-8(7-10(11)12)4-5-9-3-2-6-13-9/h2-3,6,8H,4-5,7H2,1H3,(H,11,12)
InChIKeyGRTWOPGOPPTXOA-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.79
Rot. Bonds5

About 3-methyl-5-thiophen-2-ylpentanoic acid

3-methyl-5-thiophen-2-ylpentanoic acid (PubChem CID 10488191) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-methyl-5-thiophen-2-ylpentanoic acid.

Molecular Properties

Compound Name3-methyl-5-thiophen-2-ylpentanoic acid
PubChem CID10488191
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name3-methyl-5-thiophen-2-ylpentanoic acid
SMILESCC(CCc1cccs1)CC(=O)O
InChIInChI=1S/C10H14O2S/c1-8(7-10(11)12)4-5-9-3-2-6-13-9/h2-3,6,8H,4-5,7H2,1H3,(H,11,12)
InChIKeyGRTWOPGOPPTXOA-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-thiophen-2-ylpentanoic acid?
The IUPAC name of 3-methyl-5-thiophen-2-ylpentanoic acid (CID 10488191) is 3-methyl-5-thiophen-2-ylpentanoic acid.
What is the SMILES notation for 3-methyl-5-thiophen-2-ylpentanoic acid?
The canonical SMILES for 3-methyl-5-thiophen-2-ylpentanoic acid is CC(CCc1cccs1)CC(=O)O.
What is the InChIKey of 3-methyl-5-thiophen-2-ylpentanoic acid?
The InChIKey is GRTWOPGOPPTXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-8(7-10(11)12)4-5-9-3-2-6-13-9/h2-3,6,8H,4-5,7H2,1H3,(H,11,12).
What are the key properties of 3-methyl-5-thiophen-2-ylpentanoic acid?
3-methyl-5-thiophen-2-ylpentanoic acid has a molecular weight of 198.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-thiophen-2-ylpentanoic acid is sourced from PubChem (CID 10488191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).