2-[ethyl(hydroxy)phosphoryl]oxyacetic acid

C4H9O5P — CID 126681044

IUPAC2-[ethyl(hydroxy)phosphoryl]oxyacetic acid
SMILESCCP(=O)(O)OCC(=O)O
InChIInChI=1S/C4H9O5P/c1-2-10(7,8)9-3-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)
InChIKeyUIQAHZNSNSBSHK-UHFFFAOYSA-N
MW168.08 g/mol
LogP0.29
Rot. Bonds4

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

2-[ethyl(hydroxy)phosphoryl]oxyacetic acid (PubChem CID 126681044) has the molecular formula C4H9O5P and a molecular weight of 168.08 g/mol. Its IUPAC name is 2-[ethyl(hydroxy)phosphoryl]oxyacetic acid.

Molecular Properties

Compound Name2-[ethyl(hydroxy)phosphoryl]oxyacetic acid
PubChem CID126681044
Molecular FormulaC4H9O5P
Molecular Weight168.08 g/mol
Exact Mass168.02
IUPAC Name2-[ethyl(hydroxy)phosphoryl]oxyacetic acid
SMILESCCP(=O)(O)OCC(=O)O
InChIInChI=1S/C4H9O5P/c1-2-10(7,8)9-3-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)
InChIKeyUIQAHZNSNSBSHK-UHFFFAOYSA-N
XLogP0.29
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.08
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[ethyl(hydroxy)phosphoryl]oxyacetic acid?
The IUPAC name of 2-[ethyl(hydroxy)phosphoryl]oxyacetic acid (CID 126681044) is 2-[ethyl(hydroxy)phosphoryl]oxyacetic acid.
What is the SMILES notation for 2-[ethyl(hydroxy)phosphoryl]oxyacetic acid?
The canonical SMILES for 2-[ethyl(hydroxy)phosphoryl]oxyacetic acid is CCP(=O)(O)OCC(=O)O.
What is the InChIKey of 2-[ethyl(hydroxy)phosphoryl]oxyacetic acid?
The InChIKey is UIQAHZNSNSBSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O5P/c1-2-10(7,8)9-3-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8).
What are the key properties of 2-[ethyl(hydroxy)phosphoryl]oxyacetic acid?
2-[ethyl(hydroxy)phosphoryl]oxyacetic acid has a molecular weight of 168.08 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(hydroxy)phosphoryl]oxyacetic acid is sourced from PubChem (CID 126681044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).