[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate

C13H16N2O4 — CID 8864955

IUPAC[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate
SMILESCCC(=O)O[C@@H](C)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C13H16N2O4/c1-3-11(16)19-9(2)12(17)14-15-13(18)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,17)(H,15,18)/t9-/m0/s1
InChIKeyXGSXTZMXNCBLTD-VIFPVBQESA-N
MW264.28 g/mol
LogP0.79
Rot. Bonds4

About [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate

[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate (PubChem CID 8864955) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate.

Molecular Properties

Compound Name[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate
PubChem CID8864955
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate
SMILESCCC(=O)O[C@@H](C)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C13H16N2O4/c1-3-11(16)19-9(2)12(17)14-15-13(18)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,17)(H,15,18)/t9-/m0/s1
InChIKeyXGSXTZMXNCBLTD-VIFPVBQESA-N
XLogP0.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.79
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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Related Compounds

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3,3-diphenylpropanoate
CID 8936003
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8943779
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 8939651
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 8940523
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 8940482
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate
CID 9062741
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 8872704
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate
CID 8956768
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9029412
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 8871605
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 8864345
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
CID 8954475

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate?
The IUPAC name of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate (CID 8864955) is [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate.
What is the SMILES notation for [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate?
The canonical SMILES for [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate is CCC(=O)O[C@@H](C)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate?
The InChIKey is XGSXTZMXNCBLTD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-11(16)19-9(2)12(17)14-15-13(18)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,17)(H,15,18)/t9-/m0/s1.
What are the key properties of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate?
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate has a molecular weight of 264.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate is sourced from PubChem (CID 8864955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).