ethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate

C11H21N3O3 — CID 163227837

IUPACethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate
SMILESCCOC(=O)/C(N)=C(/NN)OC1CCCCC1
InChIInChI=1S/C11H21N3O3/c1-2-16-11(15)9(12)10(14-13)17-8-6-4-3-5-7-8/h8,14H,2-7,12-13H2,1H3/b10-9+
InChIKeyGGNKKKBRGZLIMF-MDZDMXLPSA-N
MW243.31 g/mol
LogP0.49
Rot. Bonds5

About ethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate

ethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate (PubChem CID 163227837) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate
PubChem CID163227837
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nameethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate
SMILESCCOC(=O)/C(N)=C(/NN)OC1CCCCC1
InChIInChI=1S/C11H21N3O3/c1-2-16-11(15)9(12)10(14-13)17-8-6-4-3-5-7-8/h8,14H,2-7,12-13H2,1H3/b10-9+
InChIKeyGGNKKKBRGZLIMF-MDZDMXLPSA-N
XLogP0.49
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-cyclohexyloxyprop-2-enoate
CID 66651872
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
cyclohexyl N-aminocarbamate;dihydrochloride
CID 174604488
4-O-cyclobutyl 1-O-ethyl butanedioate
CID 91702391
dicyclononyl carbonate
CID 139618210
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
acetamide;cyclopentyl propanoate
CID 143322096
cyclododecyl 2-methylidenebutanoate
CID 57244431
cyclohexyl N-ethylcarbamate
CID 22978796
ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate
CID 143079598
cyclohexyl propanoate;dihydrochloride
CID 172803130

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate?
The IUPAC name of ethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate (CID 163227837) is ethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate.
What is the SMILES notation for ethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate?
The canonical SMILES for ethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate is CCOC(=O)/C(N)=C(/NN)OC1CCCCC1.
What is the InChIKey of ethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate?
The InChIKey is GGNKKKBRGZLIMF-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-16-11(15)9(12)10(14-13)17-8-6-4-3-5-7-8/h8,14H,2-7,12-13H2,1H3/b10-9+.
What are the key properties of ethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate?
ethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate has a molecular weight of 243.31 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate is sourced from PubChem (CID 163227837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).