2-(2-phosphonoethoxymethyl)prop-2-enoic acid

C6H11O6P — CID 18318768

IUPAC2-(2-phosphonoethoxymethyl)prop-2-enoic acid
SMILESC=C(COCCP(=O)(O)O)C(=O)O
InChIInChI=1S/C6H11O6P/c1-5(6(7)8)4-12-2-3-13(9,10)11/h1-4H2,(H,7,8)(H2,9,10,11)
InChIKeyXXEYEDZRUQKMLI-UHFFFAOYSA-N
MW210.12 g/mol
LogP-0.18
Rot. Bonds6

About 2-(2-phosphonoethoxymethyl)prop-2-enoic acid

2-(2-phosphonoethoxymethyl)prop-2-enoic acid (PubChem CID 18318768) has the molecular formula C6H11O6P and a molecular weight of 210.12 g/mol. Its IUPAC name is 2-(2-phosphonoethoxymethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-phosphonoethoxymethyl)prop-2-enoic acid
PubChem CID18318768
Molecular FormulaC6H11O6P
Molecular Weight210.12 g/mol
Exact Mass210.03
IUPAC Name2-(2-phosphonoethoxymethyl)prop-2-enoic acid
SMILESC=C(COCCP(=O)(O)O)C(=O)O
InChIInChI=1S/C6H11O6P/c1-5(6(7)8)4-12-2-3-13(9,10)11/h1-4H2,(H,7,8)(H2,9,10,11)
InChIKeyXXEYEDZRUQKMLI-UHFFFAOYSA-N
XLogP-0.18
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phosphonoethoxymethyl)prop-2-enoic acid?
The IUPAC name of 2-(2-phosphonoethoxymethyl)prop-2-enoic acid (CID 18318768) is 2-(2-phosphonoethoxymethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(2-phosphonoethoxymethyl)prop-2-enoic acid?
The canonical SMILES for 2-(2-phosphonoethoxymethyl)prop-2-enoic acid is C=C(COCCP(=O)(O)O)C(=O)O.
What is the InChIKey of 2-(2-phosphonoethoxymethyl)prop-2-enoic acid?
The InChIKey is XXEYEDZRUQKMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O6P/c1-5(6(7)8)4-12-2-3-13(9,10)11/h1-4H2,(H,7,8)(H2,9,10,11).
What are the key properties of 2-(2-phosphonoethoxymethyl)prop-2-enoic acid?
2-(2-phosphonoethoxymethyl)prop-2-enoic acid has a molecular weight of 210.12 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phosphonoethoxymethyl)prop-2-enoic acid is sourced from PubChem (CID 18318768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).