2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid

C8H12O8 — CID 57221790

IUPAC2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(CC(=O)O)(OCCO)C(=O)O
InChIInChI=1S/C8H12O8/c9-1-2-16-8(7(14)15,3-5(10)11)4-6(12)13/h9H,1-4H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyFNACTINKIZFYLI-UHFFFAOYSA-N
MW236.18 g/mol
LogP-1.23
Rot. Bonds8

About 2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid

2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid (PubChem CID 57221790) has the molecular formula C8H12O8 and a molecular weight of 236.18 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid
PubChem CID57221790
Molecular FormulaC8H12O8
Molecular Weight236.18 g/mol
Exact Mass236.05
IUPAC Name2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(CC(=O)O)(OCCO)C(=O)O
InChIInChI=1S/C8H12O8/c9-1-2-16-8(7(14)15,3-5(10)11)4-6(12)13/h9H,1-4H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyFNACTINKIZFYLI-UHFFFAOYSA-N
XLogP-1.23
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid?
The IUPAC name of 2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid (CID 57221790) is 2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid?
The canonical SMILES for 2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid is O=C(O)CC(CC(=O)O)(OCCO)C(=O)O.
What is the InChIKey of 2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid?
The InChIKey is FNACTINKIZFYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O8/c9-1-2-16-8(7(14)15,3-5(10)11)4-6(12)13/h9H,1-4H2,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid?
2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid has a molecular weight of 236.18 g/mol, XLogP of -1.23, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 57221790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).