2,4-dihydroxy-3-oxo-2-propylpentanoic acid

C8H14O5 — CID 87885039

IUPAC2,4-dihydroxy-3-oxo-2-propylpentanoic acid
SMILESCCCC(O)(C(=O)O)C(=O)C(C)O
InChIInChI=1S/C8H14O5/c1-3-4-8(13,7(11)12)6(10)5(2)9/h5,9,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyGEQDMDSTSWXLID-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.45
Rot. Bonds5

About 2,4-dihydroxy-3-oxo-2-propylpentanoic acid

2,4-dihydroxy-3-oxo-2-propylpentanoic acid (PubChem CID 87885039) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 2,4-dihydroxy-3-oxo-2-propylpentanoic acid.

Molecular Properties

Compound Name2,4-dihydroxy-3-oxo-2-propylpentanoic acid
PubChem CID87885039
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name2,4-dihydroxy-3-oxo-2-propylpentanoic acid
SMILESCCCC(O)(C(=O)O)C(=O)C(C)O
InChIInChI=1S/C8H14O5/c1-3-4-8(13,7(11)12)6(10)5(2)9/h5,9,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyGEQDMDSTSWXLID-UHFFFAOYSA-N
XLogP-0.45
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,5-dihydroxy-2-(2-hydroxypropanoyl)-4-oxohexanoic acid
CID 18760901
calcium;hydride;2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid
CID 174469056
2,3-dihydroxy-4-methyl-2-propylpentanoic acid
CID 139902815
2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc
CID 157494220
(2,4-dihydroxy-3-oxo-2-propanoylpentyl)-trimethylazanium iodide
CID 21153206
methyl 2-hydroxy-2-(1-hydroxyethyl)pentanoate
CID 123296265
2-hydroxy-3,5-dimethyl-2-propylhexanoic acid
CID 83051268
2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid
CID 114868886
3-hydroxy-2,3-dimethylhexanoic acid
CID 14452464
2-hydroxy-2-iodopentanoic acid
CID 23071156
(2R)-2-ethyl-2-hydroxypentanoic acid
CID 10725485
2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol
CID 134329051

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-3-oxo-2-propylpentanoic acid?
The IUPAC name of 2,4-dihydroxy-3-oxo-2-propylpentanoic acid (CID 87885039) is 2,4-dihydroxy-3-oxo-2-propylpentanoic acid.
What is the SMILES notation for 2,4-dihydroxy-3-oxo-2-propylpentanoic acid?
The canonical SMILES for 2,4-dihydroxy-3-oxo-2-propylpentanoic acid is CCCC(O)(C(=O)O)C(=O)C(C)O.
What is the InChIKey of 2,4-dihydroxy-3-oxo-2-propylpentanoic acid?
The InChIKey is GEQDMDSTSWXLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-3-4-8(13,7(11)12)6(10)5(2)9/h5,9,13H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2,4-dihydroxy-3-oxo-2-propylpentanoic acid?
2,4-dihydroxy-3-oxo-2-propylpentanoic acid has a molecular weight of 190.19 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-3-oxo-2-propylpentanoic acid is sourced from PubChem (CID 87885039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).