2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid

C11H16O12 — CID 87931123

IUPAC2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C5H8O5/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-5(10,4(8)9)2-3(6)7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);10H,2H2,1H3,(H,6,7)(H,8,9)
InChIKeyUSZAQQBEAQJLMT-UHFFFAOYSA-N
MW340.24 g/mol
LogP-1.95
Rot. Bonds8

About 2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid

2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 87931123) has the molecular formula C11H16O12 and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID87931123
Molecular FormulaC11H16O12
Molecular Weight340.24 g/mol
Exact Mass340.06
IUPAC Name2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C5H8O5/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-5(10,4(8)9)2-3(6)7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);10H,2H2,1H3,(H,6,7)(H,8,9)
InChIKeyUSZAQQBEAQJLMT-UHFFFAOYSA-N
XLogP-1.95
TPSA226.96 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.24
LogP ≤ 5-1.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic 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

2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158369615
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
CID 24997986
CID 24997986
CID 173004565
CID 173004565
carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87148662
2-hydroxypropane-1,2,3-tricarboxylic acid;rhodium(2+)
CID 10469750

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of 2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 87931123) is 2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for 2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid is CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is USZAQQBEAQJLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C5H8O5/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-5(10,4(8)9)2-3(6)7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);10H,2H2,1H3,(H,6,7)(H,8,9).
What are the key properties of 2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 340.24 g/mol, XLogP of -1.95, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 87931123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).