ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate

C15H19FN2O5 — CID 9091729

IUPACethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O5/c1-3-22-14(20)9-8-13(19)17-18-15(21)10(2)23-12-6-4-11(16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,19)(H,18,21)/t10-/m0/s1
InChIKeyONCGQFZCGIXDBQ-JTQLQIEISA-N
MW326.32 g/mol
LogP1.08
Rot. Bonds7

About ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate

ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate (PubChem CID 9091729) has the molecular formula C15H19FN2O5 and a molecular weight of 326.32 g/mol. Its IUPAC name is ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate
PubChem CID9091729
Molecular FormulaC15H19FN2O5
Molecular Weight326.32 g/mol
Exact Mass326.13
IUPAC Nameethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O5/c1-3-22-14(20)9-8-13(19)17-18-15(21)10(2)23-12-6-4-11(16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,19)(H,18,21)/t10-/m0/s1
InChIKeyONCGQFZCGIXDBQ-JTQLQIEISA-N
XLogP1.08
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate 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

2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
(2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9429083
(2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide
CID 9343061
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768
(2R)-N'-(3-cyclopentylpropanoyl)-2-(4-fluorophenoxy)propanehydrazide
CID 7965228
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
CID 7965139
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
(2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9091757
2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide
CID 43017930
(2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9160027
(2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide
CID 7964944
N-[(1S)-3-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 9367485

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate?
The IUPAC name of ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate (CID 9091729) is ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate is CCOC(=O)CCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1.
What is the InChIKey of ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate?
The InChIKey is ONCGQFZCGIXDBQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19FN2O5/c1-3-22-14(20)9-8-13(19)17-18-15(21)10(2)23-12-6-4-11(16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,19)(H,18,21)/t10-/m0/s1.
What are the key properties of ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate?
ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate has a molecular weight of 326.32 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate is sourced from PubChem (CID 9091729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).