(2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid

C12H16N2O2 — CID 18965760

IUPAC(2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid
SMILESCC(C)C/C(=N/Nc1ccccc1)C(=O)O
InChIInChI=1S/C12H16N2O2/c1-9(2)8-11(12(15)16)14-13-10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3,(H,15,16)/b14-11-
InChIKeyLEUCBJNUJOFLPZ-KAMYIIQDSA-N
MW220.27 g/mol
LogP2.59
Rot. Bonds5

About (2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid

(2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid (PubChem CID 18965760) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid.

Molecular Properties

Compound Name(2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid
PubChem CID18965760
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid
SMILESCC(C)C/C(=N/Nc1ccccc1)C(=O)O
InChIInChI=1S/C12H16N2O2/c1-9(2)8-11(12(15)16)14-13-10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3,(H,15,16)/b14-11-
InChIKeyLEUCBJNUJOFLPZ-KAMYIIQDSA-N
XLogP2.59
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.59
H-Bond Donors ≤ 52
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'}

Analyze (2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic 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

3-(phenylhydrazinylidene)pentan-2-one
CID 23263615
(2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid
CID 6392506
(1Z)-N-anilino-3-methylbutanimidoyl cyanide
CID 10888950
dimethyl (2E)-2-(phenylhydrazinylidene)butanedioate
CID 16646134
N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline
CID 5381298
3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid
CID 141384701
3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride
CID 131710018
N-[(Z)-3-methylbutan-2-ylideneamino]aniline
CID 5484372
2-(phenylhydrazinylidene)hexanoate
CID 57359440
(2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one
CID 11277499
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate
CID 11616153

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid?
The IUPAC name of (2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid (CID 18965760) is (2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid.
What is the SMILES notation for (2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid?
The canonical SMILES for (2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid is CC(C)C/C(=N/Nc1ccccc1)C(=O)O.
What is the InChIKey of (2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid?
The InChIKey is LEUCBJNUJOFLPZ-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(2)8-11(12(15)16)14-13-10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3,(H,15,16)/b14-11-.
What are the key properties of (2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid?
(2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid is sourced from PubChem (CID 18965760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).