2-[ethoxy(ethyl)phosphoryl]oxyacetic acid

C6H13O5P — CID 57304990

IUPAC2-[ethoxy(ethyl)phosphoryl]oxyacetic acid
SMILESCCOP(=O)(CC)OCC(=O)O
InChIInChI=1S/C6H13O5P/c1-3-10-12(9,4-2)11-5-6(7)8/h3-5H2,1-2H3,(H,7,8)
InChIKeyGRADFFASYRBCST-UHFFFAOYSA-N
MW196.14 g/mol
LogP1.34
Rot. Bonds6

About 2-[ethoxy(ethyl)phosphoryl]oxyacetic acid

2-[ethoxy(ethyl)phosphoryl]oxyacetic acid (PubChem CID 57304990) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is 2-[ethoxy(ethyl)phosphoryl]oxyacetic acid.

Molecular Properties

Compound Name2-[ethoxy(ethyl)phosphoryl]oxyacetic acid
PubChem CID57304990
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name2-[ethoxy(ethyl)phosphoryl]oxyacetic acid
SMILESCCOP(=O)(CC)OCC(=O)O
InChIInChI=1S/C6H13O5P/c1-3-10-12(9,4-2)11-5-6(7)8/h3-5H2,1-2H3,(H,7,8)
InChIKeyGRADFFASYRBCST-UHFFFAOYSA-N
XLogP1.34
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(ethyl)phosphoryl]oxyacetic acid?
The IUPAC name of 2-[ethoxy(ethyl)phosphoryl]oxyacetic acid (CID 57304990) is 2-[ethoxy(ethyl)phosphoryl]oxyacetic acid.
What is the SMILES notation for 2-[ethoxy(ethyl)phosphoryl]oxyacetic acid?
The canonical SMILES for 2-[ethoxy(ethyl)phosphoryl]oxyacetic acid is CCOP(=O)(CC)OCC(=O)O.
What is the InChIKey of 2-[ethoxy(ethyl)phosphoryl]oxyacetic acid?
The InChIKey is GRADFFASYRBCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O5P/c1-3-10-12(9,4-2)11-5-6(7)8/h3-5H2,1-2H3,(H,7,8).
What are the key properties of 2-[ethoxy(ethyl)phosphoryl]oxyacetic acid?
2-[ethoxy(ethyl)phosphoryl]oxyacetic acid has a molecular weight of 196.14 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(ethyl)phosphoryl]oxyacetic acid is sourced from PubChem (CID 57304990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).