2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid

C7H15O8P — CID 172703479

IUPAC2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid
SMILESCC(OCCOCCOP(=O)(O)O)C(=O)O
InChIInChI=1S/C7H15O8P/c1-6(7(8)9)14-4-2-13-3-5-15-16(10,11)12/h6H,2-5H2,1H3,(H,8,9)(H2,10,11,12)
InChIKeyDGSGHOVWNAQGOF-UHFFFAOYSA-N
MW258.16 g/mol
LogP-0.40
Rot. Bonds9

About 2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid

2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid (PubChem CID 172703479) has the molecular formula C7H15O8P and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid
PubChem CID172703479
Molecular FormulaC7H15O8P
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid
SMILESCC(OCCOCCOP(=O)(O)O)C(=O)O
InChIInChI=1S/C7H15O8P/c1-6(7(8)9)14-4-2-13-3-5-15-16(10,11)12/h6H,2-5H2,1H3,(H,8,9)(H2,10,11,12)
InChIKeyDGSGHOVWNAQGOF-UHFFFAOYSA-N
XLogP-0.40
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid
CID 86708289
2-(2-aminooxyethoxy)propanoic acid
CID 175557781
cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 160847219
2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate
CID 166607850
2-(2-fluoroethoxy)propanoic acid
CID 84648269
2-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 18318699
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
propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate
CID 168833294
bis(2-phosphonooxyethyl) carbonate
CID 87299335
2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid
CID 90913494
2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate
CID 169309073

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid?
The IUPAC name of 2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid (CID 172703479) is 2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid.
What is the SMILES notation for 2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid?
The canonical SMILES for 2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid is CC(OCCOCCOP(=O)(O)O)C(=O)O.
What is the InChIKey of 2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid?
The InChIKey is DGSGHOVWNAQGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O8P/c1-6(7(8)9)14-4-2-13-3-5-15-16(10,11)12/h6H,2-5H2,1H3,(H,8,9)(H2,10,11,12).
What are the key properties of 2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid?
2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid has a molecular weight of 258.16 g/mol, XLogP of -0.40, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid is sourced from PubChem (CID 172703479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).