2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid

C11H20O5 — CID 57022822

IUPAC2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid
SMILESCCC(C)C(O)C(=O)OC(C(=O)O)C(C)C
InChIInChI=1S/C11H20O5/c1-5-7(4)8(12)11(15)16-9(6(2)3)10(13)14/h6-9,12H,5H2,1-4H3,(H,13,14)
InChIKeyVLFPIMCPNOBMHW-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.05
Rot. Bonds6

About 2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid

2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid (PubChem CID 57022822) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid
PubChem CID57022822
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid
SMILESCCC(C)C(O)C(=O)OC(C(=O)O)C(C)C
InChIInChI=1S/C11H20O5/c1-5-7(4)8(12)11(15)16-9(6(2)3)10(13)14/h6-9,12H,5H2,1-4H3,(H,13,14)
InChIKeyVLFPIMCPNOBMHW-UHFFFAOYSA-N
XLogP1.05
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (3R)-2-hydroxy-3-methylpentanoate
CID 174795059
[(2S)-3-methyl-1-[(2S,3R)-3-methyl-1-[(2S,3S)-3-methyl-1-oxo-1-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxobutan-2-yl] (2S,3S)-2-hydroxy-3-methylpentanoate
CID 162823331
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
silyl 2-hydroxy-3-methylpentanoate
CID 174467796
[(2S,3S)-3-methyl-1-[(2S,3S)-3-methyl-1-oxo-1-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexoxy]pentan-2-yl]oxy-1-oxopentan-2-yl] (2S,3S)-2-hydroxy-3-methylpentanoate
CID 38356700
[(2S,3S)-3-methyl-1-[(2S,3S)-3-methyl-1-[(2S,3R)-3-methyl-1-oxo-1-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] (2S,3S)-2-hydroxy-3-methylpentanoate
CID 124826410
[3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5-tetrahydroxypentoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate
CID 146115920
[(2S,3S)-3-methyl-1-[(2S,3S)-3-methyl-1-oxo-1-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]pentan-2-yl]oxy-1-oxopentan-2-yl] (2R,3S)-2-hydroxy-3-methylpentanoate
CID 51693641
[(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate
CID 162816355
(2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid
CID 89397021
(2S)-2-[[(2R,3S)-2-hydroxy-3-methylpentanoyl]amino]-3-methylbutanoic acid
CID 101466455

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid?
The IUPAC name of 2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid (CID 57022822) is 2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid.
What is the SMILES notation for 2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid?
The canonical SMILES for 2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid is CCC(C)C(O)C(=O)OC(C(=O)O)C(C)C.
What is the InChIKey of 2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid?
The InChIKey is VLFPIMCPNOBMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-5-7(4)8(12)11(15)16-9(6(2)3)10(13)14/h6-9,12H,5H2,1-4H3,(H,13,14).
What are the key properties of 2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid?
2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid has a molecular weight of 232.28 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid is sourced from PubChem (CID 57022822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).