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

C16H16N2O3 — CID 57366194

IUPAC(2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
SMILESC[C@@](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)/t16-/m0/s1
InChIKeyDESKTCQMWCFFSM-INIZCTEOSA-N
MW284.31 g/mol
LogP1.92
Rot. Bonds5

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

(2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid (PubChem CID 57366194) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
PubChem CID57366194
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
SMILESC[C@@](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)/t16-/m0/s1
InChIKeyDESKTCQMWCFFSM-INIZCTEOSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid?
The IUPAC name of (2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid (CID 57366194) is (2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid?
The canonical SMILES for (2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid is C[C@@](NNC(=O)c1ccccc1)(C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid?
The InChIKey is DESKTCQMWCFFSM-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid?
(2S)-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 (2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid is sourced from PubChem (CID 57366194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).