2-(diethoxyphosphorylmethyl)pentanedioic acid

C10H19O7P — CID 118871925

IUPAC2-(diethoxyphosphorylmethyl)pentanedioic acid
SMILESCCOP(=O)(CC(CCC(=O)O)C(=O)O)OCC
InChIInChI=1S/C10H19O7P/c1-3-16-18(15,17-4-2)7-8(10(13)14)5-6-9(11)12/h8H,3-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyXKBRGCWFAUOUSR-UHFFFAOYSA-N
MW282.23 g/mol
LogP1.82
Rot. Bonds10

About 2-(diethoxyphosphorylmethyl)pentanedioic acid

2-(diethoxyphosphorylmethyl)pentanedioic acid (PubChem CID 118871925) has the molecular formula C10H19O7P and a molecular weight of 282.23 g/mol. Its IUPAC name is 2-(diethoxyphosphorylmethyl)pentanedioic acid.

Molecular Properties

Compound Name2-(diethoxyphosphorylmethyl)pentanedioic acid
PubChem CID118871925
Molecular FormulaC10H19O7P
Molecular Weight282.23 g/mol
Exact Mass282.09
IUPAC Name2-(diethoxyphosphorylmethyl)pentanedioic acid
SMILESCCOP(=O)(CC(CCC(=O)O)C(=O)O)OCC
InChIInChI=1S/C10H19O7P/c1-3-16-18(15,17-4-2)7-8(10(13)14)5-6-9(11)12/h8H,3-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyXKBRGCWFAUOUSR-UHFFFAOYSA-N
XLogP1.82
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(diethoxyphosphorylmethyl)pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid
CID 134564914
2-[bis(3-ethoxypropoxy)phosphorylmethyl]pentanedioic acid
CID 140903597
4-(diethoxyphosphorylmethyl)-5-oxo-5-prop-2-enoxypentanoic acid
CID 118895962
(4S)-5-amino-4-(diethoxyphosphorylmethylamino)-5-oxopentanoic acid
CID 46931731
4-[[ethoxy(methyl)phosphoryl]methyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 159621156
2-[[hydroxy(phenylmethoxy)phosphoryl]methyl]pentanedioic acid
CID 10448434
octane-1,3,6,8-tetracarboxylic acid
CID 89155877
4-diethoxyphosphoryl-5-hydroxypentanoic acid
CID 175815296
2-[[2-ethylidenepent-3-enoxy(hydroxy)phosphoryl]methyl]pentanedioic acid
CID 123184295
2-methylperoxypentanedioic acid
CID 87972378
13-diethoxyphosphoryltridecanoic acid
CID 87637864
11-diethoxyphosphorylundecanoic acid
CID 45158998

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxyphosphorylmethyl)pentanedioic acid?
The IUPAC name of 2-(diethoxyphosphorylmethyl)pentanedioic acid (CID 118871925) is 2-(diethoxyphosphorylmethyl)pentanedioic acid.
What is the SMILES notation for 2-(diethoxyphosphorylmethyl)pentanedioic acid?
The canonical SMILES for 2-(diethoxyphosphorylmethyl)pentanedioic acid is CCOP(=O)(CC(CCC(=O)O)C(=O)O)OCC.
What is the InChIKey of 2-(diethoxyphosphorylmethyl)pentanedioic acid?
The InChIKey is XKBRGCWFAUOUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O7P/c1-3-16-18(15,17-4-2)7-8(10(13)14)5-6-9(11)12/h8H,3-7H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-(diethoxyphosphorylmethyl)pentanedioic acid?
2-(diethoxyphosphorylmethyl)pentanedioic acid has a molecular weight of 282.23 g/mol, XLogP of 1.82, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxyphosphorylmethyl)pentanedioic acid is sourced from PubChem (CID 118871925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).