methyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate

C11H20N4O5 — CID 10924190

IUPACmethyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate
SMILESCCOC(=O)CN(C)C(C(=O)OC)/C(C)=N/NC(N)=O
InChIInChI=1S/C11H20N4O5/c1-5-20-8(16)6-15(3)9(10(17)19-4)7(2)13-14-11(12)18/h9H,5-6H2,1-4H3,(H3,12,14,18)/b13-7+
InChIKeyCQCKWVUWGIMRJF-NTUHNPAUSA-N
MW288.30 g/mol
LogP-0.93
Rot. Bonds7

About methyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate

methyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate (PubChem CID 10924190) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate.

Molecular Properties

Compound Namemethyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate
PubChem CID10924190
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Namemethyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate
SMILESCCOC(=O)CN(C)C(C(=O)OC)/C(C)=N/NC(N)=O
InChIInChI=1S/C11H20N4O5/c1-5-20-8(16)6-15(3)9(10(17)19-4)7(2)13-14-11(12)18/h9H,5-6H2,1-4H3,(H3,12,14,18)/b13-7+
InChIKeyCQCKWVUWGIMRJF-NTUHNPAUSA-N
XLogP-0.93
TPSA123.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate?
The IUPAC name of methyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate (CID 10924190) is methyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate.
What is the SMILES notation for methyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate?
The canonical SMILES for methyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate is CCOC(=O)CN(C)C(C(=O)OC)/C(C)=N/NC(N)=O.
What is the InChIKey of methyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate?
The InChIKey is CQCKWVUWGIMRJF-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-5-20-8(16)6-15(3)9(10(17)19-4)7(2)13-14-11(12)18/h9H,5-6H2,1-4H3,(H3,12,14,18)/b13-7+.
What are the key properties of methyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate?
methyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate has a molecular weight of 288.30 g/mol, XLogP of -0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3E)-3-(carbamoylhydrazinylidene)-2-[(2-ethoxy-2-oxoethyl)-methylamino]butanoate is sourced from PubChem (CID 10924190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).