5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid

C10H10O4S — CID 90285447

IUPAC5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid
SMILESCOC(=O)C1(c2cc(C(=O)O)cs2)CC1
InChIInChI=1S/C10H10O4S/c1-14-9(13)10(2-3-10)7-4-6(5-15-7)8(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyRABZBAUUSUNSLA-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.65
Rot. Bonds3

About 5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid

5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid (PubChem CID 90285447) has the molecular formula C10H10O4S and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid
PubChem CID90285447
Molecular FormulaC10H10O4S
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Name5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid
SMILESCOC(=O)C1(c2cc(C(=O)O)cs2)CC1
InChIInChI=1S/C10H10O4S/c1-14-9(13)10(2-3-10)7-4-6(5-15-7)8(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyRABZBAUUSUNSLA-UHFFFAOYSA-N
XLogP1.65
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate
CID 116964001
5-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxylic acid
CID 157047306
methyl 1-(5-iodothieno[3,2-b]thiophen-2-yl)cyclopropane-1-carboxylate
CID 89449285
5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid
CID 98021688
dimethyl 9-oxobicyclo[4.2.1]non-3-ene-1,6-dicarboxylate
CID 15827639
ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate
CID 143988638
methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate
CID 116865720
5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid
CID 130704950
methyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate
CID 138673535
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
CID 43091190
methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate
CID 116964008

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid (CID 90285447) is 5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid is COC(=O)C1(c2cc(C(=O)O)cs2)CC1.
What is the InChIKey of 5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid?
The InChIKey is RABZBAUUSUNSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S/c1-14-9(13)10(2-3-10)7-4-6(5-15-7)8(11)12/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid?
5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid has a molecular weight of 226.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 90285447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).