3-(thiophene-2-carbonyloxy)propanoic acid

C8H8O4S — CID 138555972

IUPAC3-(thiophene-2-carbonyloxy)propanoic acid
SMILESO=C(O)CCOC(=O)c1cccs1
InChIInChI=1S/C8H8O4S/c9-7(10)3-4-12-8(11)6-2-1-5-13-6/h1-2,5H,3-4H2,(H,9,10)
InChIKeyWDUAWMXKRCOIRR-UHFFFAOYSA-N
MW200.22 g/mol
LogP1.38
Rot. Bonds4

About 3-(thiophene-2-carbonyloxy)propanoic acid

3-(thiophene-2-carbonyloxy)propanoic acid (PubChem CID 138555972) has the molecular formula C8H8O4S and a molecular weight of 200.22 g/mol. Its IUPAC name is 3-(thiophene-2-carbonyloxy)propanoic acid.

Molecular Properties

Compound Name3-(thiophene-2-carbonyloxy)propanoic acid
PubChem CID138555972
Molecular FormulaC8H8O4S
Molecular Weight200.22 g/mol
Exact Mass200.01
IUPAC Name3-(thiophene-2-carbonyloxy)propanoic acid
SMILESO=C(O)CCOC(=O)c1cccs1
InChIInChI=1S/C8H8O4S/c9-7(10)3-4-12-8(11)6-2-1-5-13-6/h1-2,5H,3-4H2,(H,9,10)
InChIKeyWDUAWMXKRCOIRR-UHFFFAOYSA-N
XLogP1.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(thiophene-2-carbonyloxy)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-sulfanylethyl thiophene-2-carboxylate
CID 175040305
aminomethyl thiophene-2-carboxylate
CID 142796710
2-(2-methoxyethoxy)ethyl thiophene-2-carboxylate
CID 174814348
heptyl thiophene-2-carboxylate
CID 574115
2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride
CID 52998113
4-cyanobutyl thiophene-2-carboxylate
CID 132538634
4-(2-methylprop-2-enoyloxy)butyl thiophene-2-carboxylate
CID 21182205
3-benzoyloxypropanoic acid
CID 21263483
3-[(2-oxo-1-thiophen-2-ylethylidene)amino]oxypropanoic acid
CID 54077588
3-(dibutylamino)propyl thiophene-2-carboxylate;hydrochloride
CID 3032008
(2,6-dichlorophenyl)methyl thiophene-2-carboxylate
CID 925952
ethyl thiophene-2-carboxylate;2-phenylthiophene
CID 173392308

Frequently Asked Questions

What is the IUPAC name of 3-(thiophene-2-carbonyloxy)propanoic acid?
The IUPAC name of 3-(thiophene-2-carbonyloxy)propanoic acid (CID 138555972) is 3-(thiophene-2-carbonyloxy)propanoic acid.
What is the SMILES notation for 3-(thiophene-2-carbonyloxy)propanoic acid?
The canonical SMILES for 3-(thiophene-2-carbonyloxy)propanoic acid is O=C(O)CCOC(=O)c1cccs1.
What is the InChIKey of 3-(thiophene-2-carbonyloxy)propanoic acid?
The InChIKey is WDUAWMXKRCOIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4S/c9-7(10)3-4-12-8(11)6-2-1-5-13-6/h1-2,5H,3-4H2,(H,9,10).
What are the key properties of 3-(thiophene-2-carbonyloxy)propanoic acid?
3-(thiophene-2-carbonyloxy)propanoic acid has a molecular weight of 200.22 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophene-2-carbonyloxy)propanoic acid is sourced from PubChem (CID 138555972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).