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

C9H12O9 — CID 87974313

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C3H4O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3(4)5/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1H2,(H,4,5)
InChIKeyPMVNUTPRNUHDTL-UHFFFAOYSA-N
MW264.19 g/mol
LogP-0.99
Rot. Bonds6

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

2-hydroxypropane-1,2,3-tricarboxylic acid;prop-2-enoic acid (PubChem CID 87974313) has the molecular formula C9H12O9 and a molecular weight of 264.19 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;prop-2-enoic acid.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;prop-2-enoic acid
PubChem CID87974313
Molecular FormulaC9H12O9
Molecular Weight264.19 g/mol
Exact Mass264.05
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C3H4O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3(4)5/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1H2,(H,4,5)
InChIKeyPMVNUTPRNUHDTL-UHFFFAOYSA-N
XLogP-0.99
TPSA169.43 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 5-0.99
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;prop-2-enoic acid?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;prop-2-enoic acid (CID 87974313) is 2-hydroxypropane-1,2,3-tricarboxylic acid;prop-2-enoic acid.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;prop-2-enoic acid?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;prop-2-enoic acid is C=CC(=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;prop-2-enoic acid?
The InChIKey is PMVNUTPRNUHDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C3H4O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3(4)5/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1H2,(H,4,5).
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;prop-2-enoic acid?
2-hydroxypropane-1,2,3-tricarboxylic acid;prop-2-enoic acid has a molecular weight of 264.19 g/mol, XLogP of -0.99, 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;prop-2-enoic acid is sourced from PubChem (CID 87974313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).