2-hydroxypropane-1,2,3-tricarboxylic acid;bis(2-methylprop-2-enoic acid)

C14H20O11 — CID 87330059

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.2C4H6O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*1-3(2)4(5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2,2H3,(H,5,6)
InChIKeyPWZBRCCVAXDLKH-UHFFFAOYSA-N
MW364.30 g/mol
LogP0.05
Rot. Bonds7

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

2-hydroxypropane-1,2,3-tricarboxylic acid;bis(2-methylprop-2-enoic acid) (PubChem CID 87330059) has the molecular formula C14H20O11 and a molecular weight of 364.30 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;bis(2-methylprop-2-enoic acid)
PubChem CID87330059
Molecular FormulaC14H20O11
Molecular Weight364.30 g/mol
Exact Mass364.10
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.2C4H6O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*1-3(2)4(5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2,2H3,(H,5,6)
InChIKeyPWZBRCCVAXDLKH-UHFFFAOYSA-N
XLogP0.05
TPSA206.73 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.30
LogP ≤ 50.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;λ2-plumbane
CID 173011758
2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
ethanethioic S-acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 174953632
acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride
CID 173355303
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 173004565
CID 173004565

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(2-methylprop-2-enoic acid) (CID 87330059) is 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.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;bis(2-methylprop-2-enoic acid)?
The InChIKey is PWZBRCCVAXDLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.2C4H6O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*1-3(2)4(5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2,2H3,(H,5,6).
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(2-methylprop-2-enoic acid)?
2-hydroxypropane-1,2,3-tricarboxylic acid;bis(2-methylprop-2-enoic acid) has a molecular weight of 364.30 g/mol, XLogP of 0.05, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 87330059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).