2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid

C10H14O9 — CID 86587288

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C4H6O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-3(2)4(5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2,2H3,(H,5,6)
InChIKeyBRNGPGXGRUQXOJ-UHFFFAOYSA-N
MW278.21 g/mol
LogP-0.60
Rot. Bonds6

About 2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid

2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid (PubChem CID 86587288) has the molecular formula C10H14O9 and a molecular weight of 278.21 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid
PubChem CID86587288
Molecular FormulaC10H14O9
Molecular Weight278.21 g/mol
Exact Mass278.06
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C4H6O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-3(2)4(5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2,2H3,(H,5,6)
InChIKeyBRNGPGXGRUQXOJ-UHFFFAOYSA-N
XLogP-0.60
TPSA169.43 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid (CID 86587288) is 2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid is C=C(C)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid?
The InChIKey is BRNGPGXGRUQXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C4H6O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-3(2)4(5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2,2H3,(H,5,6).
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid?
2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid has a molecular weight of 278.21 g/mol, XLogP of -0.60, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;2-methylprop-2-enoic acid is sourced from PubChem (CID 86587288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).