[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate

C18H17N3O7 — CID 8954475

IUPAC[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H17N3O7/c1-12(17(23)19-20-18(24)13-5-3-2-4-6-13)28-16(22)11-27-15-9-7-14(8-10-15)21(25)26/h2-10,12H,11H2,1H3,(H,19,23)(H,20,24)/t12-/m1/s1
InChIKeyGQBARLKOEKVTNK-GFCCVEGCSA-N
MW387.35 g/mol
LogP1.37
Rot. Bonds7

About [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate (PubChem CID 8954475) has the molecular formula C18H17N3O7 and a molecular weight of 387.35 g/mol. Its IUPAC name is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
PubChem CID8954475
Molecular FormulaC18H17N3O7
Molecular Weight387.35 g/mol
Exact Mass387.11
IUPAC Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H17N3O7/c1-12(17(23)19-20-18(24)13-5-3-2-4-6-13)28-16(22)11-27-15-9-7-14(8-10-15)21(25)26/h2-10,12H,11H2,1H3,(H,19,23)(H,20,24)/t12-/m1/s1
InChIKeyGQBARLKOEKVTNK-GFCCVEGCSA-N
XLogP1.37
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 8864494
N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 4951406
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 8940482
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
CID 7770110
N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide
CID 4951357
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 8940523
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate
CID 8864955
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
CID 7770132
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8943779
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
CID 8954579
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-nitrophenoxy)acetate
CID 7770202
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(4-nitrophenoxy)acetate
CID 7770254

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate?
The IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate (CID 8954475) is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate.
What is the SMILES notation for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate?
The canonical SMILES for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate is C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate?
The InChIKey is GQBARLKOEKVTNK-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N3O7/c1-12(17(23)19-20-18(24)13-5-3-2-4-6-13)28-16(22)11-27-15-9-7-14(8-10-15)21(25)26/h2-10,12H,11H2,1H3,(H,19,23)(H,20,24)/t12-/m1/s1.
What are the key properties of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate?
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate has a molecular weight of 387.35 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate is sourced from PubChem (CID 8954475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).