[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate

C17H15N3O6 — CID 7983687

IUPAC[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C17H15N3O6/c1-11(26-13-6-4-12(9-18)5-7-13)17(23)25-10-15(21)19-20-16(22)14-3-2-8-24-14/h2-8,11H,10H2,1H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyQSYSZGDPONCWCH-LLVKDONJSA-N
MW357.32 g/mol
LogP0.92
Rot. Bonds6

About [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate (PubChem CID 7983687) has the molecular formula C17H15N3O6 and a molecular weight of 357.32 g/mol. Its IUPAC name is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
PubChem CID7983687
Molecular FormulaC17H15N3O6
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C17H15N3O6/c1-11(26-13-6-4-12(9-18)5-7-13)17(23)25-10-15(21)19-20-16(22)14-3-2-8-24-14/h2-8,11H,10H2,1H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyQSYSZGDPONCWCH-LLVKDONJSA-N
XLogP0.92
TPSA130.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984215
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983615
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193351
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983654
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862447
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 24557569
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8510608
[2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984171
(3-cyanophenyl)methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7983583
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7977928
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984107
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983854

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate (CID 7983687) is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate is C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NNC(=O)c1ccco1.
What is the InChIKey of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The InChIKey is QSYSZGDPONCWCH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15N3O6/c1-11(26-13-6-4-12(9-18)5-7-13)17(23)25-10-15(21)19-20-16(22)14-3-2-8-24-14/h2-8,11H,10H2,1H3,(H,19,21)(H,20,22)/t11-/m1/s1.
What are the key properties of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate has a molecular weight of 357.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 7983687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).