2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid

C10H12N2O3 — CID 57264383

IUPAC2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid
SMILESO=C(O)C(CCc1ccccc1)=NNO
InChIInChI=1S/C10H12N2O3/c13-10(14)9(11-12-15)7-6-8-4-2-1-3-5-8/h1-5,12,15H,6-7H2,(H,13,14)
InChIKeyUWZZWEMDADGHET-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.04
Rot. Bonds5

About 2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid

2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid (PubChem CID 57264383) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid
PubChem CID57264383
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid
SMILESO=C(O)C(CCc1ccccc1)=NNO
InChIInChI=1S/C10H12N2O3/c13-10(14)9(11-12-15)7-6-8-4-2-1-3-5-8/h1-5,12,15H,6-7H2,(H,13,14)
InChIKeyUWZZWEMDADGHET-UHFFFAOYSA-N
XLogP1.04
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.04
H-Bond Donors ≤ 53
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

2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide
CID 135730522
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
lanthanum;3-phenylpropanoic acid
CID 174887955
2,3-dioxo-5-phenylpentanoic acid
CID 54131380
methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
3-phenyl-N-(1-phenylpropylideneamino)propanamide
CID 5163167
N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide
CID 3516121
N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
CID 9120882
3-phenyl-N-[(Z)-1-phenylpropylideneamino]propanamide
CID 6288373
disodium;(Z)-2,3-bis(2-phenylethyl)but-2-enedioate
CID 66648612
benzene;formic acid;N-hydroxy-3-phenylpropanamide
CID 174900807

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid?
The IUPAC name of 2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid (CID 57264383) is 2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid.
What is the SMILES notation for 2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid?
The canonical SMILES for 2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid is O=C(O)C(CCc1ccccc1)=NNO.
What is the InChIKey of 2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid?
The InChIKey is UWZZWEMDADGHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-10(14)9(11-12-15)7-6-8-4-2-1-3-5-8/h1-5,12,15H,6-7H2,(H,13,14).
What are the key properties of 2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid?
2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid has a molecular weight of 208.22 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid is sourced from PubChem (CID 57264383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).