3-[methoxy(methyl)phosphoryl]propanoic acid

C5H11O4P — CID 87778211

IUPAC3-[methoxy(methyl)phosphoryl]propanoic acid
SMILESCOP(C)(=O)CCC(=O)O
InChIInChI=1S/C5H11O4P/c1-9-10(2,8)4-3-5(6)7/h3-4H2,1-2H3,(H,6,7)
InChIKeyFBAUFCWMHMMTRC-UHFFFAOYSA-N
MW166.11 g/mol
LogP1.02
Rot. Bonds4

About 3-[methoxy(methyl)phosphoryl]propanoic acid

3-[methoxy(methyl)phosphoryl]propanoic acid (PubChem CID 87778211) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is 3-[methoxy(methyl)phosphoryl]propanoic acid.

Molecular Properties

Compound Name3-[methoxy(methyl)phosphoryl]propanoic acid
PubChem CID87778211
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Name3-[methoxy(methyl)phosphoryl]propanoic acid
SMILESCOP(C)(=O)CCC(=O)O
InChIInChI=1S/C5H11O4P/c1-9-10(2,8)4-3-5(6)7/h3-4H2,1-2H3,(H,6,7)
InChIKeyFBAUFCWMHMMTRC-UHFFFAOYSA-N
XLogP1.02
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[methoxy(methyl)phosphoryl]propanoic 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

ethyl 3-[methoxy(methyl)phosphoryl]propanoate
CID 11019721
3-[methoxy(phenyl)phosphoryl]propanoic acid
CID 141176838
3-dipropoxyphosphorylpropanoic acid
CID 34250012
3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid
CID 58974134
3-phosphonopropanoic acid;zirconium
CID 88720720
3-methoxypropanoic acid;yttrium
CID 87432975
3-[ethyl(hydroxy)phosphoryl]propanoic acid
CID 19011064
3-[methyl-[(E)-octadec-9-enoxy]phosphoryl]propanoic acid
CID 58971176
acetic acid;dimethylphosphoryloxymethane
CID 174989212
1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane
CID 90315580
tris(3-phosphonatopropanoic acid);bis(titanium(3+))
CID 155387935
[methoxy(methyl)phosphoryl]methyl-methylphosphinic acid
CID 20667852

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)phosphoryl]propanoic acid?
The IUPAC name of 3-[methoxy(methyl)phosphoryl]propanoic acid (CID 87778211) is 3-[methoxy(methyl)phosphoryl]propanoic acid.
What is the SMILES notation for 3-[methoxy(methyl)phosphoryl]propanoic acid?
The canonical SMILES for 3-[methoxy(methyl)phosphoryl]propanoic acid is COP(C)(=O)CCC(=O)O.
What is the InChIKey of 3-[methoxy(methyl)phosphoryl]propanoic acid?
The InChIKey is FBAUFCWMHMMTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-9-10(2,8)4-3-5(6)7/h3-4H2,1-2H3,(H,6,7).
What are the key properties of 3-[methoxy(methyl)phosphoryl]propanoic acid?
3-[methoxy(methyl)phosphoryl]propanoic acid has a molecular weight of 166.11 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)phosphoryl]propanoic acid is sourced from PubChem (CID 87778211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).