2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid

C5H9O6P — CID 89006104

IUPAC2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid
SMILESCP(OCC(=O)O)OCC(=O)O
InChIInChI=1S/C5H9O6P/c1-12(10-2-4(6)7)11-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyZUELAJCZQMCLIY-UHFFFAOYSA-N
MW196.09 g/mol
LogP0.13
Rot. Bonds6

About 2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid

2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid (PubChem CID 89006104) has the molecular formula C5H9O6P and a molecular weight of 196.09 g/mol. Its IUPAC name is 2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid.

Molecular Properties

Compound Name2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid
PubChem CID89006104
Molecular FormulaC5H9O6P
Molecular Weight196.09 g/mol
Exact Mass196.01
IUPAC Name2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid
SMILESCP(OCC(=O)O)OCC(=O)O
InChIInChI=1S/C5H9O6P/c1-12(10-2-4(6)7)11-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyZUELAJCZQMCLIY-UHFFFAOYSA-N
XLogP0.13
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid?
The IUPAC name of 2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid (CID 89006104) is 2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid.
What is the SMILES notation for 2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid?
The canonical SMILES for 2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid is CP(OCC(=O)O)OCC(=O)O.
What is the InChIKey of 2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid?
The InChIKey is ZUELAJCZQMCLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O6P/c1-12(10-2-4(6)7)11-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9).
What are the key properties of 2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid?
2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid has a molecular weight of 196.09 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethoxy(methyl)phosphanyl]oxyacetic acid is sourced from PubChem (CID 89006104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).