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

C9H18O3 — CID 141142510

IUPAC2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid
SMILESCC(C)C(C(C)C)C(O)C(=O)O
InChIInChI=1S/C9H18O3/c1-5(2)7(6(3)4)8(10)9(11)12/h5-8,10H,1-4H3,(H,11,12)
InChIKeyGPYGHDXIEUHCSK-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.36
Rot. Bonds4

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

2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid (PubChem CID 141142510) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid
PubChem CID141142510
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid
SMILESCC(C)C(C(C)C)C(O)C(=O)O
InChIInChI=1S/C9H18O3/c1-5(2)7(6(3)4)8(10)9(11)12/h5-8,10H,1-4H3,(H,11,12)
InChIKeyGPYGHDXIEUHCSK-UHFFFAOYSA-N
XLogP1.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid?
The IUPAC name of 2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid (CID 141142510) is 2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid.
What is the SMILES notation for 2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid?
The canonical SMILES for 2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid is CC(C)C(C(C)C)C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid?
The InChIKey is GPYGHDXIEUHCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5(2)7(6(3)4)8(10)9(11)12/h5-8,10H,1-4H3,(H,11,12).
What are the key properties of 2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid?
2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid is sourced from PubChem (CID 141142510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).