2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid

C6H11O7P — CID 23152156

IUPAC2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid
SMILESC=C(COCCOP(=O)(O)O)C(=O)O
InChIInChI=1S/C6H11O7P/c1-5(6(7)8)4-12-2-3-13-14(9,10)11/h1-4H2,(H,7,8)(H2,9,10,11)
InChIKeyZKGUWCCTULEFIC-UHFFFAOYSA-N
MW226.12 g/mol
LogP-0.25
Rot. Bonds7

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

2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid (PubChem CID 23152156) has the molecular formula C6H11O7P and a molecular weight of 226.12 g/mol. Its IUPAC name is 2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid
PubChem CID23152156
Molecular FormulaC6H11O7P
Molecular Weight226.12 g/mol
Exact Mass226.02
IUPAC Name2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid
SMILESC=C(COCCOP(=O)(O)O)C(=O)O
InChIInChI=1S/C6H11O7P/c1-5(6(7)8)4-12-2-3-13-14(9,10)11/h1-4H2,(H,7,8)(H2,9,10,11)
InChIKeyZKGUWCCTULEFIC-UHFFFAOYSA-N
XLogP-0.25
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(2-phosphonoethoxymethyl)prop-2-enoic acid
CID 18318768
2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid
CID 87861719
2-methylidene-5-phosphonooxypentanoic acid
CID 22995158
(2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate
CID 23152149
2-[2-[2-[2-[2-[2-[hydroxy-[2-[2-[2-[2-[2-(2-phosphonooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-methylphosphinic acid
CID 174196734
2-(butoxymethyl)prop-2-enoic acid
CID 23505124
2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate
CID 166607850
2-[2-[hydroxy(methoxy)phosphoryl]propoxymethyl]prop-2-enoic acid
CID 22949710
2-(2-cyclobutylethoxymethyl)prop-2-enoic acid
CID 106199338
2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid
CID 172703479
bis(2-phosphonooxyethyl) carbonate
CID 87299335
3-(2-hydroxyethyl)-2-methylidene-5-phosphonooxypentanoic acid
CID 87186844

Frequently Asked Questions

What is the IUPAC name of 2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid?
The IUPAC name of 2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid (CID 23152156) is 2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid?
The canonical SMILES for 2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid is C=C(COCCOP(=O)(O)O)C(=O)O.
What is the InChIKey of 2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid?
The InChIKey is ZKGUWCCTULEFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O7P/c1-5(6(7)8)4-12-2-3-13-14(9,10)11/h1-4H2,(H,7,8)(H2,9,10,11).
What are the key properties of 2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid?
2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid has a molecular weight of 226.12 g/mol, XLogP of -0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid is sourced from PubChem (CID 23152156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).