4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid

C9H18O4 — CID 87694486

IUPAC4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid
SMILESCC(O)CC(C)(CC(C)O)C(=O)O
InChIInChI=1S/C9H18O4/c1-6(10)4-9(3,8(12)13)5-7(2)11/h6-7,10-11H,4-5H2,1-3H3,(H,12,13)
InChIKeyCBPXLXLWPZMALE-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.62
Rot. Bonds5

About 4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid

4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid (PubChem CID 87694486) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid
PubChem CID87694486
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid
SMILESCC(O)CC(C)(CC(C)O)C(=O)O
InChIInChI=1S/C9H18O4/c1-6(10)4-9(3,8(12)13)5-7(2)11/h6-7,10-11H,4-5H2,1-3H3,(H,12,13)
InChIKeyCBPXLXLWPZMALE-UHFFFAOYSA-N
XLogP0.62
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic 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 4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid?
The IUPAC name of 4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid (CID 87694486) is 4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid.
What is the SMILES notation for 4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid?
The canonical SMILES for 4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid is CC(O)CC(C)(CC(C)O)C(=O)O.
What is the InChIKey of 4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid?
The InChIKey is CBPXLXLWPZMALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-6(10)4-9(3,8(12)13)5-7(2)11/h6-7,10-11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid?
4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid has a molecular weight of 190.24 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid is sourced from PubChem (CID 87694486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).