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

C9H18O4 — CID 139902815

IUPAC2,3-dihydroxy-4-methyl-2-propylpentanoic acid
SMILESCCCC(O)(C(=O)O)C(O)C(C)C
InChIInChI=1S/C9H18O4/c1-4-5-9(13,8(11)12)7(10)6(2)3/h6-7,10,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyZQUWMWPSHDXADJ-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.62
Rot. Bonds5

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

2,3-dihydroxy-4-methyl-2-propylpentanoic acid (PubChem CID 139902815) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2,3-dihydroxy-4-methyl-2-propylpentanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-4-methyl-2-propylpentanoic acid
PubChem CID139902815
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2,3-dihydroxy-4-methyl-2-propylpentanoic acid
SMILESCCCC(O)(C(=O)O)C(O)C(C)C
InChIInChI=1S/C9H18O4/c1-4-5-9(13,8(11)12)7(10)6(2)3/h6-7,10,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyZQUWMWPSHDXADJ-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

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Related Compounds

2-hydroxy-3,5-dimethyl-2-propylhexanoic acid
CID 83051268
2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid
CID 114868886
2-hydroxy-2-propan-2-ylhexanoic acid
CID 22743973
2,4-dihydroxy-3-oxo-2-propylpentanoic acid
CID 87885039
(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]tetracosanoic acid
CID 123720065
2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid
CID 83051898
2-hydroxy-2-propan-2-yloctadecanoic acid
CID 88541048
methyl 2-hydroxy-2-(1-hydroxyethyl)pentanoate
CID 123296265
2-hexadecyl-2,3-dihydroxybutanedioic acid
CID 139894675
2,3-diethyl-2-hydroxypentanoic acid
CID 79303581
5-hydroxy-5-propan-2-yloctan-4-one
CID 121217425
2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid
CID 175526409

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-methyl-2-propylpentanoic acid?
The IUPAC name of 2,3-dihydroxy-4-methyl-2-propylpentanoic acid (CID 139902815) is 2,3-dihydroxy-4-methyl-2-propylpentanoic acid.
What is the SMILES notation for 2,3-dihydroxy-4-methyl-2-propylpentanoic acid?
The canonical SMILES for 2,3-dihydroxy-4-methyl-2-propylpentanoic acid is CCCC(O)(C(=O)O)C(O)C(C)C.
What is the InChIKey of 2,3-dihydroxy-4-methyl-2-propylpentanoic acid?
The InChIKey is ZQUWMWPSHDXADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-5-9(13,8(11)12)7(10)6(2)3/h6-7,10,13H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2,3-dihydroxy-4-methyl-2-propylpentanoic acid?
2,3-dihydroxy-4-methyl-2-propylpentanoic 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 2,3-dihydroxy-4-methyl-2-propylpentanoic acid is sourced from PubChem (CID 139902815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).