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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Related Compounds

Triethyl Citrate
CID 6506
Acetyl Triethyl Citrate
CID 6504
Trimagnesium dicitrate
CID 6099959
Tributyl Citrate
CID 6507
Manganese Citrate
CID 9937209
Zinc Citrate
CID 11023
Tricalcium Citrate
CID 13136
2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)
CID 22230
Trimethyl citrate
CID 74112
1,2,3-Propanetricarboxylic acid, 1,2-dihydroxy-
CID 123908
Garcinia acid
CID 185620
Cobaltous citrate
CID 13343

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).