2-(1-phosphonoethoxy)propanoic acid

C5H11O6P — CID 146452583

IUPAC2-(1-phosphonoethoxy)propanoic acid
SMILESCC(OC(C)P(=O)(O)O)C(=O)O
InChIInChI=1S/C5H11O6P/c1-3(5(6)7)11-4(2)12(8,9)10/h3-4H,1-2H3,(H,6,7)(H2,8,9,10)
InChIKeyLPKBDTCLQBHOAM-UHFFFAOYSA-N
MW198.11 g/mol
LogP-0.00
Rot. Bonds4

About 2-(1-phosphonoethoxy)propanoic acid

2-(1-phosphonoethoxy)propanoic acid (PubChem CID 146452583) has the molecular formula C5H11O6P and a molecular weight of 198.11 g/mol. Its IUPAC name is 2-(1-phosphonoethoxy)propanoic acid.

Molecular Properties

Compound Name2-(1-phosphonoethoxy)propanoic acid
PubChem CID146452583
Molecular FormulaC5H11O6P
Molecular Weight198.11 g/mol
Exact Mass198.03
IUPAC Name2-(1-phosphonoethoxy)propanoic acid
SMILESCC(OC(C)P(=O)(O)O)C(=O)O
InChIInChI=1S/C5H11O6P/c1-3(5(6)7)11-4(2)12(8,9)10/h3-4H,1-2H3,(H,6,7)(H2,8,9,10)
InChIKeyLPKBDTCLQBHOAM-UHFFFAOYSA-N
XLogP-0.00
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid
CID 104875476
dicalcium;hydride;2-phosphonooxypropanoic acid
CID 174241121
2-(1-carboxyethoxy)butanedioic acid
CID 18176039
1-silyloxyethylphosphonic acid
CID 173192117
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 156757405
(2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid
CID 104876418
2-dimethoxyphosphoryloxypropanoic acid
CID 88549351
1-formyloxyethylphosphonic acid
CID 174693537
2-methoxypropanoic acid;zirconium
CID 174567743
2-methoxypropanoic acid;titanium
CID 175177225
2-methylpropanoic acid;ruthenium
CID 88674751
2-methyl-3-phosphonopentanedioic acid
CID 19107762

Frequently Asked Questions

What is the IUPAC name of 2-(1-phosphonoethoxy)propanoic acid?
The IUPAC name of 2-(1-phosphonoethoxy)propanoic acid (CID 146452583) is 2-(1-phosphonoethoxy)propanoic acid.
What is the SMILES notation for 2-(1-phosphonoethoxy)propanoic acid?
The canonical SMILES for 2-(1-phosphonoethoxy)propanoic acid is CC(OC(C)P(=O)(O)O)C(=O)O.
What is the InChIKey of 2-(1-phosphonoethoxy)propanoic acid?
The InChIKey is LPKBDTCLQBHOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O6P/c1-3(5(6)7)11-4(2)12(8,9)10/h3-4H,1-2H3,(H,6,7)(H2,8,9,10).
What are the key properties of 2-(1-phosphonoethoxy)propanoic acid?
2-(1-phosphonoethoxy)propanoic acid has a molecular weight of 198.11 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phosphonoethoxy)propanoic acid is sourced from PubChem (CID 146452583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).