(Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid

C10H12O11 — CID 87292476

IUPAC(Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)/C=C\C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C4H4O4/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-3(6)1-2-4(7)8/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyIQAAAXGSGUMSBG-BTJKTKAUSA-N
MW308.19 g/mol
LogP-1.54
Rot. Bonds7

About (Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid

(Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 87292476) has the molecular formula C10H12O11 and a molecular weight of 308.19 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID87292476
Molecular FormulaC10H12O11
Molecular Weight308.19 g/mol
Exact Mass308.04
IUPAC Name(Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)/C=C\C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C4H4O4/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-3(6)1-2-4(7)8/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyIQAAAXGSGUMSBG-BTJKTKAUSA-N
XLogP-1.54
TPSA206.73 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.19
LogP ≤ 5-1.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-but-2-enedioic 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;bis(2-methylprop-2-enoic acid)
CID 87330059
Apfelsaures Citronensaures Ammoniumsulfat
CID 129890436
2-(3-Carboxyprop-2-enoyloxy)propane-1,2,3-tricarboxylic acid
CID 54125263
Methacrylic Acid Citric Acid
CID 86587288
Glycerol fumaric acid citric acid
CID 86715998
2-Hydroxy-2-(2-oxo-2-prop-2-enoyloxyethyl)butanedioic acid
CID 87129974
(Z)-2-hydroxypent-3-ene-1,2,3-tricarboxylic acid
CID 87148158
2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid
CID 87292477
(E)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87292478
CID 87436965
CID 87436965
2-[(Z)-4-oxo-4-(1,2,3-tricarboxypropan-2-yloxy)but-2-enoyl]oxypropane-1,2,3-tricarboxylic acid
CID 87436968
calcium;(E)-but-2-enedioate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87436970

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of (Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 87292476) is (Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for (Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for (Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)/C=C\C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is IQAAAXGSGUMSBG-BTJKTKAUSA-N. The full InChI is InChI=1S/C6H8O7.C4H4O4/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-3(6)1-2-4(7)8/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
(Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 308.19 g/mol, XLogP of -1.54, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 87292476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).