2-(4-methoxycarbonylthiophen-3-yl)acetic acid

C8H8O4S — CID 138046216

IUPAC2-(4-methoxycarbonylthiophen-3-yl)acetic acid
SMILESCOC(=O)c1cscc1CC(=O)O
InChIInChI=1S/C8H8O4S/c1-12-8(11)6-4-13-3-5(6)2-7(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKeyFKCPJOFFXRTKIZ-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.16
Rot. Bonds3

About 2-(4-methoxycarbonylthiophen-3-yl)acetic acid

2-(4-methoxycarbonylthiophen-3-yl)acetic acid (PubChem CID 138046216) has the molecular formula C8H8O4S and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-(4-methoxycarbonylthiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxycarbonylthiophen-3-yl)acetic acid
PubChem CID138046216
Molecular FormulaC8H8O4S
Molecular Weight200.21 g/mol
Exact Mass200.01
IUPAC Name2-(4-methoxycarbonylthiophen-3-yl)acetic acid
SMILESCOC(=O)c1cscc1CC(=O)O
InChIInChI=1S/C8H8O4S/c1-12-8(11)6-4-13-3-5(6)2-7(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKeyFKCPJOFFXRTKIZ-UHFFFAOYSA-N
XLogP1.16
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl thiophene-3,4-dicarboxylate
CID 58401193
4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid
CID 14326173
ethane;methyl 4-aminothiophene-3-carboxylate
CID 143551713
4-(carboxymethyl)thiophene-3-carboxylic acid;4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid
CID 159092743
methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate
CID 100929989
methyl 4-butan-2-ylthiophene-3-carboxylate
CID 114748244
2-(3-methoxycarbonyl-2-sulfanylphenyl)acetic acid
CID 91874273
2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid
CID 86703767
methyl 4-cyclohexylthiophene-3-carboxylate
CID 114748233
diethyl 2-[[(4-methoxycarbonylthiophen-3-yl)amino]methylidene]propanedioate
CID 126455488
2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879
methyl 2-(4-bromothiophen-3-yl)acetate
CID 130739135

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycarbonylthiophen-3-yl)acetic acid?
The IUPAC name of 2-(4-methoxycarbonylthiophen-3-yl)acetic acid (CID 138046216) is 2-(4-methoxycarbonylthiophen-3-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxycarbonylthiophen-3-yl)acetic acid?
The canonical SMILES for 2-(4-methoxycarbonylthiophen-3-yl)acetic acid is COC(=O)c1cscc1CC(=O)O.
What is the InChIKey of 2-(4-methoxycarbonylthiophen-3-yl)acetic acid?
The InChIKey is FKCPJOFFXRTKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4S/c1-12-8(11)6-4-13-3-5(6)2-7(9)10/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 2-(4-methoxycarbonylthiophen-3-yl)acetic acid?
2-(4-methoxycarbonylthiophen-3-yl)acetic acid has a molecular weight of 200.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycarbonylthiophen-3-yl)acetic acid is sourced from PubChem (CID 138046216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).