2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid

C11H16O9 — CID 54089433

IUPAC2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid
SMILESCC(O)C(=O)OC(C)C(=O)COCC(=O)OCC(=O)O
InChIInChI=1S/C11H16O9/c1-6(12)11(17)20-7(2)8(13)3-18-5-10(16)19-4-9(14)15/h6-7,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyMSUVOSVMNZWVLG-UHFFFAOYSA-N
MW292.24 g/mol
LogP-1.49
Rot. Bonds9

About 2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid

2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid (PubChem CID 54089433) has the molecular formula C11H16O9 and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid
PubChem CID54089433
Molecular FormulaC11H16O9
Molecular Weight292.24 g/mol
Exact Mass292.08
IUPAC Name2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid
SMILESCC(O)C(=O)OC(C)C(=O)COCC(=O)OCC(=O)O
InChIInChI=1S/C11H16O9/c1-6(12)11(17)20-7(2)8(13)3-18-5-10(16)19-4-9(14)15/h6-7,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyMSUVOSVMNZWVLG-UHFFFAOYSA-N
XLogP-1.49
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid?
The IUPAC name of 2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid (CID 54089433) is 2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid.
What is the SMILES notation for 2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid?
The canonical SMILES for 2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid is CC(O)C(=O)OC(C)C(=O)COCC(=O)OCC(=O)O.
What is the InChIKey of 2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid?
The InChIKey is MSUVOSVMNZWVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O9/c1-6(12)11(17)20-7(2)8(13)3-18-5-10(16)19-4-9(14)15/h6-7,12H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid?
2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid has a molecular weight of 292.24 g/mol, XLogP of -1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-hydroxypropanoyloxy)-2-oxobutoxy]acetyl]oxyacetic acid is sourced from PubChem (CID 54089433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).