2-[ethoxy(methyl)phosphoryl]propanoic acid

C6H13O4P — CID 87306109

IUPAC2-[ethoxy(methyl)phosphoryl]propanoic acid
SMILESCCOP(C)(=O)C(C)C(=O)O
InChIInChI=1S/C6H13O4P/c1-4-10-11(3,9)5(2)6(7)8/h5H,4H2,1-3H3,(H,7,8)
InChIKeyDVXSVABPJSUGQF-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.40
Rot. Bonds4

About 2-[ethoxy(methyl)phosphoryl]propanoic acid

2-[ethoxy(methyl)phosphoryl]propanoic acid (PubChem CID 87306109) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is 2-[ethoxy(methyl)phosphoryl]propanoic acid.

Molecular Properties

Compound Name2-[ethoxy(methyl)phosphoryl]propanoic acid
PubChem CID87306109
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name2-[ethoxy(methyl)phosphoryl]propanoic acid
SMILESCCOP(C)(=O)C(C)C(=O)O
InChIInChI=1S/C6H13O4P/c1-4-10-11(3,9)5(2)6(7)8/h5H,4H2,1-3H3,(H,7,8)
InChIKeyDVXSVABPJSUGQF-UHFFFAOYSA-N
XLogP1.40
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethoxy(methyl)phosphoryl]butan-2-one
CID 88588834
(2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid
CID 159867621
[ethoxy(methyl)phosphoryl]formamide
CID 174260075
2,5-bis(diethoxyphosphoryl)hexanedioic acid
CID 54116909
(2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten
CID 170514941
(2S,3S)-2-(diethoxyphosphorylamino)-3-methylpentanoic acid
CID 119083769
acetic acid;triethyl phosphate
CID 161446956
2-[2,2-bis(diethoxyphosphoryl)ethyl]propanedioic acid
CID 23283927
2-[hydroxy(propyl)phosphoryl]propanoic acid
CID 46239174
carbonic acid;prop-1-ene;triethyl phosphate
CID 174925075
2-methylpropanamide;triethyl phosphate
CID 155316510
methyl 3-diethoxyphosphorylbutanoate
CID 14418068

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(methyl)phosphoryl]propanoic acid?
The IUPAC name of 2-[ethoxy(methyl)phosphoryl]propanoic acid (CID 87306109) is 2-[ethoxy(methyl)phosphoryl]propanoic acid.
What is the SMILES notation for 2-[ethoxy(methyl)phosphoryl]propanoic acid?
The canonical SMILES for 2-[ethoxy(methyl)phosphoryl]propanoic acid is CCOP(C)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[ethoxy(methyl)phosphoryl]propanoic acid?
The InChIKey is DVXSVABPJSUGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P/c1-4-10-11(3,9)5(2)6(7)8/h5H,4H2,1-3H3,(H,7,8).
What are the key properties of 2-[ethoxy(methyl)phosphoryl]propanoic acid?
2-[ethoxy(methyl)phosphoryl]propanoic acid has a molecular weight of 180.14 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(methyl)phosphoryl]propanoic acid is sourced from PubChem (CID 87306109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).