4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid

C10H10O9 — CID 173375966

IUPAC4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid
SMILESO=C(O)C=CC(OC(C=CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C10H10O9/c11-7(12)3-1-5(9(15)16)19-6(10(17)18)2-4-8(13)14/h1-6H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKeyUFJVMBRHSMPGNC-UHFFFAOYSA-N
MW274.18 g/mol
LogP-0.81
Rot. Bonds8

About 4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid

4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid (PubChem CID 173375966) has the molecular formula C10H10O9 and a molecular weight of 274.18 g/mol. Its IUPAC name is 4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid.

Molecular Properties

Compound Name4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid
PubChem CID173375966
Molecular FormulaC10H10O9
Molecular Weight274.18 g/mol
Exact Mass274.03
IUPAC Name4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid
SMILESO=C(O)C=CC(OC(C=CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C10H10O9/c11-7(12)3-1-5(9(15)16)19-6(10(17)18)2-4-8(13)14/h1-6H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKeyUFJVMBRHSMPGNC-UHFFFAOYSA-N
XLogP-0.81
TPSA158.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic 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

(2E,5E)-4-[(E)-2-carboxyethenyl]hepta-2,5-dienedioic acid
CID 59008552
(2E,4S,5R,6E)-4,5-dihydroxyocta-2,6-dienedioic acid
CID 165355300
4,4-dibromobut-2-enoic acid
CID 175534024
(E)-4-bromo-4-hydroxybut-2-enoic acid
CID 21430697
4-ethylhepta-2,5-dienedioic acid
CID 54361689
(E)-4-fluoropent-2-enoic acid
CID 87509994
(Z)-but-2-enedioic acid;2-methylpropanoic acid
CID 175222424
(Z)-but-2-enedioic acid;gold
CID 174837134
but-2-enedioic acid;dihydrate
CID 76541248
azane;bis((E)-but-2-enedioic acid)
CID 87996706
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(E)-but-2-enedioic acid;iron
CID 5478817

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid?
The IUPAC name of 4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid (CID 173375966) is 4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid.
What is the SMILES notation for 4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid?
The canonical SMILES for 4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid is O=C(O)C=CC(OC(C=CC(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of 4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid?
The InChIKey is UFJVMBRHSMPGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O9/c11-7(12)3-1-5(9(15)16)19-6(10(17)18)2-4-8(13)14/h1-6H,(H,11,12)(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid?
4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid has a molecular weight of 274.18 g/mol, XLogP of -0.81, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dicarboxyprop-2-enoxy)pent-2-enedioic acid is sourced from PubChem (CID 173375966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).