4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid

C11H13N3O3 — CID 131861254

IUPAC4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
SMILESNC(=O)NN=C(CCC(=O)O)c1ccccc1
InChIInChI=1S/C11H13N3O3/c12-11(17)14-13-9(6-7-10(15)16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)(H3,12,14,17)
InChIKeyJVDIIYVNRAEZDW-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.92
Rot. Bonds5

About 4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid

4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid (PubChem CID 131861254) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
PubChem CID131861254
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
SMILESNC(=O)NN=C(CCC(=O)O)c1ccccc1
InChIInChI=1S/C11H13N3O3/c12-11(17)14-13-9(6-7-10(15)16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)(H3,12,14,17)
InChIKeyJVDIIYVNRAEZDW-UHFFFAOYSA-N
XLogP0.92
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-(carbamothioylhydrazinylidene)-4-phenylbutanoic acid
CID 3038095
(4Z)-4-hydrazinylidene-4-phenylbutanoic acid
CID 5406458
(4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid
CID 6380098
4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid
CID 2834574
(4E)-4-[(4-bromobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6391991
(4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 19171619
(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 5341278
4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid
CID 4247588
[(Z)-1-(4-chlorophenyl)butylideneamino]urea
CID 8971834
(4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid
CID 5342175
(4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid
CID 9241838
4-(2-benzhydrylidenehydrazinyl)-4-oxobutanoic acid
CID 2063521

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid?
The IUPAC name of 4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid (CID 131861254) is 4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid.
What is the SMILES notation for 4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid?
The canonical SMILES for 4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid is NC(=O)NN=C(CCC(=O)O)c1ccccc1.
What is the InChIKey of 4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid?
The InChIKey is JVDIIYVNRAEZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-11(17)14-13-9(6-7-10(15)16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)(H3,12,14,17).
What are the key properties of 4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid?
4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid has a molecular weight of 235.24 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid is sourced from PubChem (CID 131861254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).