3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid

C11H22O3 — CID 79304533

IUPAC3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid
SMILESCCC(C(C)C)C(O)(C(=O)O)C(C)C
InChIInChI=1S/C11H22O3/c1-6-9(7(2)3)11(14,8(4)5)10(12)13/h7-9,14H,6H2,1-5H3,(H,12,13)
InChIKeyXXHXBBXLBXARJQ-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.14
Rot. Bonds5

About 3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid

3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid (PubChem CID 79304533) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid
PubChem CID79304533
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid
SMILESCCC(C(C)C)C(O)(C(=O)O)C(C)C
InChIInChI=1S/C11H22O3/c1-6-9(7(2)3)11(14,8(4)5)10(12)13/h7-9,14H,6H2,1-5H3,(H,12,13)
InChIKeyXXHXBBXLBXARJQ-UHFFFAOYSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid?
The IUPAC name of 3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid (CID 79304533) is 3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid?
The canonical SMILES for 3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid is CCC(C(C)C)C(O)(C(=O)O)C(C)C.
What is the InChIKey of 3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid?
The InChIKey is XXHXBBXLBXARJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-9(7(2)3)11(14,8(4)5)10(12)13/h7-9,14H,6H2,1-5H3,(H,12,13).
What are the key properties of 3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid?
3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 79304533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).