3-(2-hydroxypropanoyl)phthalic acid

C11H10O6 — CID 122441279

IUPAC3-(2-hydroxypropanoyl)phthalic acid
SMILESCC(O)C(=O)c1cccc(C(=O)O)c1C(=O)O
InChIInChI=1S/C11H10O6/c1-5(12)9(13)6-3-2-4-7(10(14)15)8(6)11(16)17/h2-5,12H,1H3,(H,14,15)(H,16,17)
InChIKeyBCEIBXQMIMBAAD-UHFFFAOYSA-N
MW238.19 g/mol
LogP0.65
Rot. Bonds4

About 3-(2-hydroxypropanoyl)phthalic acid

3-(2-hydroxypropanoyl)phthalic acid (PubChem CID 122441279) has the molecular formula C11H10O6 and a molecular weight of 238.19 g/mol. Its IUPAC name is 3-(2-hydroxypropanoyl)phthalic acid.

Molecular Properties

Compound Name3-(2-hydroxypropanoyl)phthalic acid
PubChem CID122441279
Molecular FormulaC11H10O6
Molecular Weight238.19 g/mol
Exact Mass238.05
IUPAC Name3-(2-hydroxypropanoyl)phthalic acid
SMILESCC(O)C(=O)c1cccc(C(=O)O)c1C(=O)O
InChIInChI=1S/C11H10O6/c1-5(12)9(13)6-3-2-4-7(10(14)15)8(6)11(16)17/h2-5,12H,1H3,(H,14,15)(H,16,17)
InChIKeyBCEIBXQMIMBAAD-UHFFFAOYSA-N
XLogP0.65
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxypropanoyl)phthalic 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

barium(2+);benzene-1,2,3-tricarboxylic acid;hydride
CID 174613618
potassium;benzene-1,2,3-tricarboxylic acid;hydride
CID 174768168
2-methylbenzene-1,3-dicarboxylic acid;propan-2-ol
CID 175270418
3-(3-hydroxybutyl)phthalic acid
CID 172943535
sodium 2,3-dicarboxybenzoate
CID 166682302
1-(2-chlorophenyl)-2-hydroxypropan-1-one
CID 11830112
3-(2,3-dicarboxyphenyl)silylphthalic acid
CID 152543848
3-[ethyl(methyl)amino]phthalic acid
CID 152622014
3-(2-oxo-2-phenylacetyl)phthalic acid
CID 23508695
2-(2-methylpropanoyl)-6-(trifluoromethyl)benzoic acid
CID 164827507
2-(2-bromopropanoyl)-3-(hydroxymethyl)benzoic acid
CID 170837831
2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid
CID 117054066

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropanoyl)phthalic acid?
The IUPAC name of 3-(2-hydroxypropanoyl)phthalic acid (CID 122441279) is 3-(2-hydroxypropanoyl)phthalic acid.
What is the SMILES notation for 3-(2-hydroxypropanoyl)phthalic acid?
The canonical SMILES for 3-(2-hydroxypropanoyl)phthalic acid is CC(O)C(=O)c1cccc(C(=O)O)c1C(=O)O.
What is the InChIKey of 3-(2-hydroxypropanoyl)phthalic acid?
The InChIKey is BCEIBXQMIMBAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O6/c1-5(12)9(13)6-3-2-4-7(10(14)15)8(6)11(16)17/h2-5,12H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-(2-hydroxypropanoyl)phthalic acid?
3-(2-hydroxypropanoyl)phthalic acid has a molecular weight of 238.19 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropanoyl)phthalic acid is sourced from PubChem (CID 122441279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).