2-ethyl-3-methoxybutanoic acid

C7H14O3 — CID 54291806

IUPAC2-ethyl-3-methoxybutanoic acid
SMILESCCC(C(=O)O)C(C)OC
InChIInChI=1S/C7H14O3/c1-4-6(7(8)9)5(2)10-3/h5-6H,4H2,1-3H3,(H,8,9)
InChIKeyRYAINTGLHMHPBF-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.13
Rot. Bonds4

About 2-ethyl-3-methoxybutanoic acid

2-ethyl-3-methoxybutanoic acid (PubChem CID 54291806) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-ethyl-3-methoxybutanoic acid.

Molecular Properties

Compound Name2-ethyl-3-methoxybutanoic acid
PubChem CID54291806
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-ethyl-3-methoxybutanoic acid
SMILESCCC(C(=O)O)C(C)OC
InChIInChI=1S/C7H14O3/c1-4-6(7(8)9)5(2)10-3/h5-6H,4H2,1-3H3,(H,8,9)
InChIKeyRYAINTGLHMHPBF-UHFFFAOYSA-N
XLogP1.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methoxybutanoic acid?
The IUPAC name of 2-ethyl-3-methoxybutanoic acid (CID 54291806) is 2-ethyl-3-methoxybutanoic acid.
What is the SMILES notation for 2-ethyl-3-methoxybutanoic acid?
The canonical SMILES for 2-ethyl-3-methoxybutanoic acid is CCC(C(=O)O)C(C)OC.
What is the InChIKey of 2-ethyl-3-methoxybutanoic acid?
The InChIKey is RYAINTGLHMHPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-6(7(8)9)5(2)10-3/h5-6H,4H2,1-3H3,(H,8,9).
What are the key properties of 2-ethyl-3-methoxybutanoic acid?
2-ethyl-3-methoxybutanoic acid has a molecular weight of 146.19 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methoxybutanoic acid is sourced from PubChem (CID 54291806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).