2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid

C16H16N2O3 — CID 67684435

IUPAC2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
SMILESCC(NNC(=O)c1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-16(15(20)21,13-10-6-3-7-11-13)18-17-14(19)12-8-4-2-5-9-12/h2-11,18H,1H3,(H,17,19)(H,20,21)
InChIKeyDESKTCQMWCFFSM-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.92
Rot. Bonds5

About 2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid

2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid (PubChem CID 67684435) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
PubChem CID67684435
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
SMILESCC(NNC(=O)c1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-16(15(20)21,13-10-6-3-7-11-13)18-17-14(19)12-8-4-2-5-9-12/h2-11,18H,1H3,(H,17,19)(H,20,21)
InChIKeyDESKTCQMWCFFSM-UHFFFAOYSA-N
XLogP1.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-benzoylhydrazinyl)-2-phenylpropanoic 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

(2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 57366194
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
CID 101078744
N'-(1-ethoxy-1-phenylethyl)benzohydrazide
CID 142685922
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
N'-(4-tert-butylphenyl)benzohydrazide
CID 2813094
(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
N'-(2-amino-2-methylpropanoyl)benzohydrazide
CID 67519847
2-benzamido-2-naphthalen-2-ylpropanoic acid
CID 156695246
2-phenyl-2-(phosphonomethylamino)propanoic acid
CID 69433519
2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
CID 43753640

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid?
The IUPAC name of 2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid (CID 67684435) is 2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid?
The canonical SMILES for 2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid is CC(NNC(=O)c1ccccc1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid?
The InChIKey is DESKTCQMWCFFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-16(15(20)21,13-10-6-3-7-11-13)18-17-14(19)12-8-4-2-5-9-12/h2-11,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid?
2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid has a molecular weight of 284.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid is sourced from PubChem (CID 67684435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).