5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid

C10H12O3S — CID 157048039

IUPAC5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid
SMILESCOCC1(c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C10H12O3S/c1-13-6-10(4-5-10)8-3-2-7(14-8)9(11)12/h2-3H,4-6H2,1H3,(H,11,12)
InChIKeyNCORKQQKLFTZCK-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.12
Rot. Bonds4

About 5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid

5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid (PubChem CID 157048039) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid
PubChem CID157048039
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid
SMILESCOCC1(c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C10H12O3S/c1-13-6-10(4-5-10)8-3-2-7(14-8)9(11)12/h2-3H,4-6H2,1H3,(H,11,12)
InChIKeyNCORKQQKLFTZCK-UHFFFAOYSA-N
XLogP2.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid (CID 157048039) is 5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid is COCC1(c2ccc(C(=O)O)s2)CC1.
What is the InChIKey of 5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid?
The InChIKey is NCORKQQKLFTZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-13-6-10(4-5-10)8-3-2-7(14-8)9(11)12/h2-3H,4-6H2,1H3,(H,11,12).
What are the key properties of 5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid?
5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methoxymethyl)cyclopropyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 157048039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).