2-ethoxy-3-methylcyclopropane-1-carboxylic acid

C7H12O3 — CID 43811024

IUPAC2-ethoxy-3-methylcyclopropane-1-carboxylic acid
SMILESCCOC1C(C)C1C(=O)O
InChIInChI=1S/C7H12O3/c1-3-10-6-4(2)5(6)7(8)9/h4-6H,3H2,1-2H3,(H,8,9)
InChIKeyZAXPZTIUHQVFKE-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.74
Rot. Bonds3

About 2-ethoxy-3-methylcyclopropane-1-carboxylic acid

2-ethoxy-3-methylcyclopropane-1-carboxylic acid (PubChem CID 43811024) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-ethoxy-3-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-ethoxy-3-methylcyclopropane-1-carboxylic acid
PubChem CID43811024
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-ethoxy-3-methylcyclopropane-1-carboxylic acid
SMILESCCOC1C(C)C1C(=O)O
InChIInChI=1S/C7H12O3/c1-3-10-6-4(2)5(6)7(8)9/h4-6H,3H2,1-2H3,(H,8,9)
InChIKeyZAXPZTIUHQVFKE-UHFFFAOYSA-N
XLogP0.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-ethoxy-3-methylcyclopropane-1-carboxylic acid (CID 43811024) is 2-ethoxy-3-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-ethoxy-3-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-ethoxy-3-methylcyclopropane-1-carboxylic acid is CCOC1C(C)C1C(=O)O.
What is the InChIKey of 2-ethoxy-3-methylcyclopropane-1-carboxylic acid?
The InChIKey is ZAXPZTIUHQVFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-10-6-4(2)5(6)7(8)9/h4-6H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-ethoxy-3-methylcyclopropane-1-carboxylic acid?
2-ethoxy-3-methylcyclopropane-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 43811024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).