cyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid

C11H14O9 — CID 87502917

IUPACcyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)C1=CCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C5H6O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;6-5(7)4-2-1-3-4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1,3H2,(H,6,7)
InChIKeySRMMOIZVDWZNKT-UHFFFAOYSA-N
MW290.22 g/mol
LogP-0.46
Rot. Bonds6

About cyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid

cyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 87502917) has the molecular formula C11H14O9 and a molecular weight of 290.22 g/mol. Its IUPAC name is cyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namecyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID87502917
Molecular FormulaC11H14O9
Molecular Weight290.22 g/mol
Exact Mass290.06
IUPAC Namecyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)C1=CCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C5H6O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;6-5(7)4-2-1-3-4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1,3H2,(H,6,7)
InChIKeySRMMOIZVDWZNKT-UHFFFAOYSA-N
XLogP-0.46
TPSA169.43 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of cyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 87502917) is cyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for cyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for cyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)C1=CCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of cyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is SRMMOIZVDWZNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C5H6O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;6-5(7)4-2-1-3-4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1,3H2,(H,6,7).
What are the key properties of cyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
cyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 290.22 g/mol, XLogP of -0.46, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutene-1-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 87502917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).