3-hydroxy-2-methyl-2-phosphorosobutanoic acid

C5H9O4P — CID 151397531

IUPAC3-hydroxy-2-methyl-2-phosphorosobutanoic acid
SMILESCC(O)C(C)(P=O)C(=O)O
InChIInChI=1S/C5H9O4P/c1-3(6)5(2,10-9)4(7)8/h3,6H,1-2H3,(H,7,8)
InChIKeyOVUAUBCUBINKNI-UHFFFAOYSA-N
MW164.10 g/mol
LogP0.50
Rot. Bonds3

About 3-hydroxy-2-methyl-2-phosphorosobutanoic acid

3-hydroxy-2-methyl-2-phosphorosobutanoic acid (PubChem CID 151397531) has the molecular formula C5H9O4P and a molecular weight of 164.10 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-2-phosphorosobutanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-methyl-2-phosphorosobutanoic acid
PubChem CID151397531
Molecular FormulaC5H9O4P
Molecular Weight164.10 g/mol
Exact Mass164.02
IUPAC Name3-hydroxy-2-methyl-2-phosphorosobutanoic acid
SMILESCC(O)C(C)(P=O)C(=O)O
InChIInChI=1S/C5H9O4P/c1-3(6)5(2,10-9)4(7)8/h3,6H,1-2H3,(H,7,8)
InChIKeyOVUAUBCUBINKNI-UHFFFAOYSA-N
XLogP0.50
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-phosphorosobutane-1,2,3-tricarboxylic acid
CID 174406294
azane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron
CID 174337721
acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol
CID 162322991
2,2-dimethylpropanoic acid
CID 87781698
2,2-difluoro-3-hydroxy-4-methylpentanoic acid
CID 62398254
1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid
CID 173188984
3-amino-3-(aminomethyl)-4-hydroxypentanoic acid
CID 18940164
2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc
CID 157494220
(2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid
CID 45086732
2-amino-4-hydroxy-3,3-dimethylpentanoic acid
CID 11997558
(E,5S)-5-hydroxy-4,4-dimethylhex-2-enoic acid
CID 146682851
2-hydroxy-2-methylbutanoic acid;propan-2-ol
CID 87318263

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-2-phosphorosobutanoic acid?
The IUPAC name of 3-hydroxy-2-methyl-2-phosphorosobutanoic acid (CID 151397531) is 3-hydroxy-2-methyl-2-phosphorosobutanoic acid.
What is the SMILES notation for 3-hydroxy-2-methyl-2-phosphorosobutanoic acid?
The canonical SMILES for 3-hydroxy-2-methyl-2-phosphorosobutanoic acid is CC(O)C(C)(P=O)C(=O)O.
What is the InChIKey of 3-hydroxy-2-methyl-2-phosphorosobutanoic acid?
The InChIKey is OVUAUBCUBINKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O4P/c1-3(6)5(2,10-9)4(7)8/h3,6H,1-2H3,(H,7,8).
What are the key properties of 3-hydroxy-2-methyl-2-phosphorosobutanoic acid?
3-hydroxy-2-methyl-2-phosphorosobutanoic acid has a molecular weight of 164.10 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-2-phosphorosobutanoic acid is sourced from PubChem (CID 151397531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).