methyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate

C16H16N2O3 — CID 11832952

IUPACmethyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate
SMILESCOC(=O)[C@@H](NNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)14(12-8-4-2-5-9-12)17-18-15(19)13-10-6-3-7-11-13/h2-11,14,17H,1H3,(H,18,19)/t14-/m0/s1
InChIKeyDJTJEYHIKPUCNE-AWEZNQCLSA-N
MW284.32 g/mol
LogP1.84
Rot. Bonds5

About methyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate

methyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate (PubChem CID 11832952) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate
PubChem CID11832952
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate
SMILESCOC(=O)[C@@H](NNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)14(12-8-4-2-5-9-12)17-18-15(19)13-10-6-3-7-11-13/h2-11,14,17H,1H3,(H,18,19)/t14-/m0/s1
InChIKeyDJTJEYHIKPUCNE-AWEZNQCLSA-N
XLogP1.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate?
The IUPAC name of methyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate (CID 11832952) is methyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate.
What is the SMILES notation for methyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate?
The canonical SMILES for methyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate is COC(=O)[C@@H](NNC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate?
The InChIKey is DJTJEYHIKPUCNE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-16(20)14(12-8-4-2-5-9-12)17-18-15(19)13-10-6-3-7-11-13/h2-11,14,17H,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of methyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate?
methyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate has a molecular weight of 284.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate is sourced from PubChem (CID 11832952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).