2-hydroxypent-3-ene-1,2,3-tricarboxylic acid

C8H10O7 — CID 123458005

IUPAC2-hydroxypent-3-ene-1,2,3-tricarboxylic acid
SMILESCC=C(C(=O)O)C(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C8H10O7/c1-2-4(6(11)12)8(15,7(13)14)3-5(9)10/h2,15H,3H2,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeySFDQRSVJXQSEHM-UHFFFAOYSA-N
MW218.16 g/mol
LogP-0.69
Rot. Bonds5

About 2-hydroxypent-3-ene-1,2,3-tricarboxylic acid

2-hydroxypent-3-ene-1,2,3-tricarboxylic acid (PubChem CID 123458005) has the molecular formula C8H10O7 and a molecular weight of 218.16 g/mol. Its IUPAC name is 2-hydroxypent-3-ene-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name2-hydroxypent-3-ene-1,2,3-tricarboxylic acid
PubChem CID123458005
Molecular FormulaC8H10O7
Molecular Weight218.16 g/mol
Exact Mass218.04
IUPAC Name2-hydroxypent-3-ene-1,2,3-tricarboxylic acid
SMILESCC=C(C(=O)O)C(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C8H10O7/c1-2-4(6(11)12)8(15,7(13)14)3-5(9)10/h2,15H,3H2,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeySFDQRSVJXQSEHM-UHFFFAOYSA-N
XLogP-0.69
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxypent-3-ene-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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypent-3-ene-1,2,3-tricarboxylic acid?
The IUPAC name of 2-hydroxypent-3-ene-1,2,3-tricarboxylic acid (CID 123458005) is 2-hydroxypent-3-ene-1,2,3-tricarboxylic acid.
What is the SMILES notation for 2-hydroxypent-3-ene-1,2,3-tricarboxylic acid?
The canonical SMILES for 2-hydroxypent-3-ene-1,2,3-tricarboxylic acid is CC=C(C(=O)O)C(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxypent-3-ene-1,2,3-tricarboxylic acid?
The InChIKey is SFDQRSVJXQSEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O7/c1-2-4(6(11)12)8(15,7(13)14)3-5(9)10/h2,15H,3H2,1H3,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 2-hydroxypent-3-ene-1,2,3-tricarboxylic acid?
2-hydroxypent-3-ene-1,2,3-tricarboxylic acid has a molecular weight of 218.16 g/mol, XLogP of -0.69, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypent-3-ene-1,2,3-tricarboxylic acid is sourced from PubChem (CID 123458005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).