ethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate

C9H16N2O4 — CID 54232025

IUPACethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate
SMILES[H]/N=C(\COC(=O)NCC)CC(=O)OCC
InChIInChI=1S/C9H16N2O4/c1-3-11-9(13)15-6-7(10)5-8(12)14-4-2/h10H,3-6H2,1-2H3,(H,11,13)/b10-7-
InChIKeyQJYOVJQJUDPHLO-YFHOEESVSA-N
MW216.24 g/mol
LogP0.71
Rot. Bonds6

About ethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate

ethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate (PubChem CID 54232025) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate.

Molecular Properties

Compound Nameethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate
PubChem CID54232025
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Nameethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate
SMILES[H]/N=C(\COC(=O)NCC)CC(=O)OCC
InChIInChI=1S/C9H16N2O4/c1-3-11-9(13)15-6-7(10)5-8(12)14-4-2/h10H,3-6H2,1-2H3,(H,11,13)/b10-7-
InChIKeyQJYOVJQJUDPHLO-YFHOEESVSA-N
XLogP0.71
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate 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-Methoxyethyl 3-imino-4-(methylcarbamoyloxy)butanoate
CID 53718041
2-Propoxyethyl 3-imino-4-(methylcarbamoyloxy)butanoate
CID 53844522
Ethyl 3-imino-4-(propylcarbamoyloxy)butanoate
CID 53864850
Ethyl 3-imino-4-(methylcarbamoyloxy)butanoate
CID 53896516
2-Propoxyethyl 4-(diethylcarbamoyloxy)-3-iminobutanoate
CID 54029858
Methyl 3-imino-4-(methylcarbamoyloxy)butanoate
CID 54064192
Ethyl 3-imino-4-(methylcarbamoyloxy)pentanoate
CID 54228832
Ethyl 4-(tert-butylcarbamoyloxy)-3-iminobutanoate
CID 54242539
Ethyl 4-(cyclohexylcarbamoyloxy)-3-iminobutanoate
CID 54281313

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate?
The IUPAC name of ethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate (CID 54232025) is ethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate.
What is the SMILES notation for ethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate?
The canonical SMILES for ethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate is [H]/N=C(\COC(=O)NCC)CC(=O)OCC.
What is the InChIKey of ethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate?
The InChIKey is QJYOVJQJUDPHLO-YFHOEESVSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-3-11-9(13)15-6-7(10)5-8(12)14-4-2/h10H,3-6H2,1-2H3,(H,11,13)/b10-7-.
What are the key properties of ethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate?
ethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate has a molecular weight of 216.24 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(ethylcarbamoyloxy)-3-iminobutanoate is sourced from PubChem (CID 54232025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).