3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid

C5H11O4P — CID 18721633

IUPAC3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid
SMILESCC(CP(C)(=O)O)C(=O)O
InChIInChI=1S/C5H11O4P/c1-4(5(6)7)3-10(2,8)9/h4H,3H2,1-2H3,(H,6,7)(H,8,9)
InChIKeyVQBPHUXODPLUJG-UHFFFAOYSA-N
MW166.11 g/mol
LogP0.61
Rot. Bonds3

About 3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid

3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid (PubChem CID 18721633) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is 3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid
PubChem CID18721633
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Name3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid
SMILESCC(CP(C)(=O)O)C(=O)O
InChIInChI=1S/C5H11O4P/c1-4(5(6)7)3-10(2,8)9/h4H,3H2,1-2H3,(H,6,7)(H,8,9)
InChIKeyVQBPHUXODPLUJG-UHFFFAOYSA-N
XLogP0.61
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Hydroxymethylphosphinyl)propionic acid
CID 84788
2-Phosphonobutyric acid
CID 4186724
3-[Butyl(hydroxy)phosphoryl]propanoic acid
CID 659905
3,3'-Phosphinicobis[propanoic acid]
CID 4000977
2-Carboxypropyl(trihydroxy)phosphanium
CID 88262951
1-Hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid
CID 2785398
3-[Ethyl(hydroxy)phosphoryl]propanoic acid
CID 19011064
Propanoic acid, 3,3'-(methylphosphinylidene)bis-
CID 103972
2-Methyl-3-phosphonopropanoic acid
CID 14904918
Phosphonoisobutyric acid
CID 14366342
Ethyl-bis-(beta-carboxyethyl)phosphine oxide
CID 20326399
4-[Hydroxy(methyl)phosphoryl]butanoic acid
CID 10080731

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid?
The IUPAC name of 3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid (CID 18721633) is 3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid?
The canonical SMILES for 3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid is CC(CP(C)(=O)O)C(=O)O.
What is the InChIKey of 3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid?
The InChIKey is VQBPHUXODPLUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-4(5(6)7)3-10(2,8)9/h4H,3H2,1-2H3,(H,6,7)(H,8,9).
What are the key properties of 3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid?
3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid has a molecular weight of 166.11 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid is sourced from PubChem (CID 18721633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).