[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate

C19H17N3O4 — CID 9066538

IUPAC[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
SMILESC[C@@H](OC(=O)c1c[nH]c2ccccc12)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C19H17N3O4/c1-12(17(23)21-22-18(24)13-7-3-2-4-8-13)26-19(25)15-11-20-16-10-6-5-9-14(15)16/h2-12,20H,1H3,(H,21,23)(H,22,24)/t12-/m1/s1
InChIKeyVOSIOBMWVZABNC-GFCCVEGCSA-N
MW351.36 g/mol
LogP2.17
Rot. Bonds4

About [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate (PubChem CID 9066538) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
PubChem CID9066538
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
SMILESC[C@@H](OC(=O)c1c[nH]c2ccccc12)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C19H17N3O4/c1-12(17(23)21-22-18(24)13-7-3-2-4-8-13)26-19(25)15-11-20-16-10-6-5-9-14(15)16/h2-12,20H,1H3,(H,21,23)(H,22,24)/t12-/m1/s1
InChIKeyVOSIOBMWVZABNC-GFCCVEGCSA-N
XLogP2.17
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate 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

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 8942689
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 1H-indole-3-carboxylate
CID 7492999
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 9382459
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 1H-indole-3-carboxylate
CID 7492966
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7493007
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
[(1R)-1-phenylethyl] 1H-indole-3-carboxylate
CID 8607675
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 8871772
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 1H-indole-3-carboxylate
CID 7493005
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 1H-indole-3-carboxylate
CID 46629744
[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7889015

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate?
The IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate (CID 9066538) is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate.
What is the SMILES notation for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate?
The canonical SMILES for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate is C[C@@H](OC(=O)c1c[nH]c2ccccc12)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate?
The InChIKey is VOSIOBMWVZABNC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12(17(23)21-22-18(24)13-7-3-2-4-8-13)26-19(25)15-11-20-16-10-6-5-9-14(15)16/h2-12,20H,1H3,(H,21,23)(H,22,24)/t12-/m1/s1.
What are the key properties of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate?
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate is sourced from PubChem (CID 9066538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).