[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate

C18H18N2O6 — CID 51603440

IUPAC[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)O[C@H](C)C(=O)NNC(=O)c2ccccc2)c1
InChIInChI=1S/C18H18N2O6/c1-11(16(22)19-20-17(23)12-6-4-3-5-7-12)26-18(24)14-10-13(25-2)8-9-15(14)21/h3-11,21H,1-2H3,(H,19,22)(H,20,23)/t11-/m1/s1
InChIKeyGMXLMWYBFBNEAZ-LLVKDONJSA-N
MW358.35 g/mol
LogP1.41
Rot. Bonds5

About [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate (PubChem CID 51603440) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
PubChem CID51603440
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)O[C@H](C)C(=O)NNC(=O)c2ccccc2)c1
InChIInChI=1S/C18H18N2O6/c1-11(16(22)19-20-17(23)12-6-4-3-5-7-12)26-18(24)14-10-13(25-2)8-9-15(14)21/h3-11,21H,1-2H3,(H,19,22)(H,20,23)/t11-/m1/s1
InChIKeyGMXLMWYBFBNEAZ-LLVKDONJSA-N
XLogP1.41
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 8864345
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9029412
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
CID 40882857
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
CID 7429785
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 8872704
propan-2-yl 2-hydroxy-5-methoxybenzoate
CID 60731005
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 8863407
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 8871772
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
CID 41089045
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 8864248
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-fluorobenzoate
CID 8868567
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate
CID 8864955

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate?
The IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate (CID 51603440) is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate.
What is the SMILES notation for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate?
The canonical SMILES for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate is COc1ccc(O)c(C(=O)O[C@H](C)C(=O)NNC(=O)c2ccccc2)c1.
What is the InChIKey of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate?
The InChIKey is GMXLMWYBFBNEAZ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-11(16(22)19-20-17(23)12-6-4-3-5-7-12)26-18(24)14-10-13(25-2)8-9-15(14)21/h3-11,21H,1-2H3,(H,19,22)(H,20,23)/t11-/m1/s1.
What are the key properties of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate?
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate has a molecular weight of 358.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate is sourced from PubChem (CID 51603440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).