3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid

C15H14O4S — CID 174337760

IUPAC3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1-c1cscc1CC(=O)O
InChIInChI=1S/C15H14O4S/c16-14(17)6-5-10-3-1-2-4-12(10)13-9-20-8-11(13)7-15(18)19/h1-4,8-9H,5-7H2,(H,16,17)(H,18,19)
InChIKeyMOLCWJSESPRGFC-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.06
Rot. Bonds6

About 3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid

3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid (PubChem CID 174337760) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid
PubChem CID174337760
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1-c1cscc1CC(=O)O
InChIInChI=1S/C15H14O4S/c16-14(17)6-5-10-3-1-2-4-12(10)13-9-20-8-11(13)7-15(18)19/h1-4,8-9H,5-7H2,(H,16,17)(H,18,19)
InChIKeyMOLCWJSESPRGFC-UHFFFAOYSA-N
XLogP3.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid?
The IUPAC name of 3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid (CID 174337760) is 3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid is O=C(O)CCc1ccccc1-c1cscc1CC(=O)O.
What is the InChIKey of 3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid?
The InChIKey is MOLCWJSESPRGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c16-14(17)6-5-10-3-1-2-4-12(10)13-9-20-8-11(13)7-15(18)19/h1-4,8-9H,5-7H2,(H,16,17)(H,18,19).
What are the key properties of 3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid?
3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid has a molecular weight of 290.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid is sourced from PubChem (CID 174337760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).