(2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid

C15H20N2O3 — CID 88728677

IUPAC(2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid
SMILESC/C(=N/NCCOC/C=C(\C)c1ccccc1)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-12(14-6-4-3-5-7-14)8-10-20-11-9-16-17-13(2)15(18)19/h3-8,16H,9-11H2,1-2H3,(H,18,19)/b12-8+,17-13-
InChIKeyKDNXYJRSXVXRCZ-QCNUPDNZSA-N
MW276.34 g/mol
LogP2.16
Rot. Bonds8

About (2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid

(2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid (PubChem CID 88728677) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid
PubChem CID88728677
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid
SMILESC/C(=N/NCCOC/C=C(\C)c1ccccc1)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-12(14-6-4-3-5-7-14)8-10-20-11-9-16-17-13(2)15(18)19/h3-8,16H,9-11H2,1-2H3,(H,18,19)/b12-8+,17-13-
InChIKeyKDNXYJRSXVXRCZ-QCNUPDNZSA-N
XLogP2.16
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic 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 (2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid?
The IUPAC name of (2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid (CID 88728677) is (2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid.
What is the SMILES notation for (2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid?
The canonical SMILES for (2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid is C/C(=N/NCCOC/C=C(\C)c1ccccc1)C(=O)O.
What is the InChIKey of (2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid?
The InChIKey is KDNXYJRSXVXRCZ-QCNUPDNZSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12(14-6-4-3-5-7-14)8-10-20-11-9-16-17-13(2)15(18)19/h3-8,16H,9-11H2,1-2H3,(H,18,19)/b12-8+,17-13-.
What are the key properties of (2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid?
(2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid is sourced from PubChem (CID 88728677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).