4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid

C20H20N2O4 — CID 2834574

IUPAC4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid
SMILESO=C(O)CCC(=NN=C(CCC(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-19(24)13-11-17(15-7-3-1-4-8-15)21-22-18(12-14-20(25)26)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,23,24)(H,25,26)
InChIKeyAXCOIWORIPCYRY-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.61
Rot. Bonds9

About 4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid

4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid (PubChem CID 2834574) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid
PubChem CID2834574
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid
SMILESO=C(O)CCC(=NN=C(CCC(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-19(24)13-11-17(15-7-3-1-4-8-15)21-22-18(12-14-20(25)26)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,23,24)(H,25,26)
InChIKeyAXCOIWORIPCYRY-UHFFFAOYSA-N
XLogP3.61
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-hydrazinylidene-4-phenylbutanoic acid
CID 5406458
4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
CID 131861254
(4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid
CID 6380098
(Z)-N-[(E)-1,3-diphenylpropylideneamino]-1,3-diphenylpropan-1-imine
CID 6370993
4-(carbamothioylhydrazinylidene)-4-phenylbutanoic acid
CID 3038095
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
8-hydroxyimino-8-phenyloctanoic acid
CID 85433757
(4E)-4-[(4-bromobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6391991
(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid
CID 10193227
4-phenylhex-4-enoic acid
CID 67746450
4-phenylpent-4-enoic acid;phosphenous acid
CID 175528610
(4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid
CID 46229742

Frequently Asked Questions

What is the IUPAC name of 4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid?
The IUPAC name of 4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid (CID 2834574) is 4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid?
The canonical SMILES for 4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid is O=C(O)CCC(=NN=C(CCC(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid?
The InChIKey is AXCOIWORIPCYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19(24)13-11-17(15-7-3-1-4-8-15)21-22-18(12-14-20(25)26)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,23,24)(H,25,26).
What are the key properties of 4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid?
4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid has a molecular weight of 352.39 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid is sourced from PubChem (CID 2834574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).