cis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate

C14H16N2O4 — CID 7776861

IUPACcis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
SMILESC[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H16N2O4/c1-9-7-11(9)14(19)20-8-12(17)15-16-13(18)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,17)(H,16,18)/t9-,11+/m1/s1
InChIKeyJJWCWKUHGCRJOI-KOLCDFICSA-N
MW276.29 g/mol
LogP0.65
Rot. Bonds4

About cis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate

cis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate (PubChem CID 7776861) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is cis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
PubChem CID7776861
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namecis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
SMILESC[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H16N2O4/c1-9-7-11(9)14(19)20-8-12(17)15-16-13(18)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,17)(H,16,18)/t9-,11+/m1/s1
InChIKeyJJWCWKUHGCRJOI-KOLCDFICSA-N
XLogP0.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-methylcyclopropane-1-carboxylate
CID 4885518
trans-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2539027
trans-[2-(benzylamino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 2093395
trans-[2-(benzylamino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2093394
trans-[2-(3,3-diphenylpropylamino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019831
trans-[2-(2-acetylanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7777163
trans-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020642
trans-[2-oxo-2-(2-phenylanilino)ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019795
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-tert-butylbenzoate
CID 2489555
[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 24687232
trans-[2-(2-fluoroanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 2356465
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2614496

Frequently Asked Questions

What is the IUPAC name of cis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of cis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate (CID 7776861) is cis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for cis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate is C[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1.
What is the InChIKey of cis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
The InChIKey is JJWCWKUHGCRJOI-KOLCDFICSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9-7-11(9)14(19)20-8-12(17)15-16-13(18)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,17)(H,16,18)/t9-,11+/m1/s1.
What are the key properties of cis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
cis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 7776861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).