ethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate

C9H13N3O3 — CID 175094276

IUPACethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate
SMILESCCOC(=O)C(=NOC)c1c[nH]c(N)c1
InChIInChI=1S/C9H13N3O3/c1-3-15-9(13)8(12-14-2)6-4-7(10)11-5-6/h4-5,11H,3,10H2,1-2H3
InChIKeyJGUXHOJRIZATNU-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.51
Rot. Bonds4

About ethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate

ethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate (PubChem CID 175094276) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate
PubChem CID175094276
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Nameethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate
SMILESCCOC(=O)C(=NOC)c1c[nH]c(N)c1
InChIInChI=1S/C9H13N3O3/c1-3-15-9(13)8(12-14-2)6-4-7(10)11-5-6/h4-5,11H,3,10H2,1-2H3
InChIKeyJGUXHOJRIZATNU-UHFFFAOYSA-N
XLogP0.51
TPSA89.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate 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

ethyl 2-methoxyimino-2-(1-methylpyrazol-3-yl)acetate
CID 54252092
ethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate
CID 10933212
ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate
CID 12889177
[3-(C-ethoxycarbonyl-N-methoxycarbonimidoyl)phenyl] 4-(diaminomethylideneamino)benzoate
CID 54442599
ethyl 2-(4-methylphenyl)-2-methylsulfonyloxyiminoacetate
CID 58079029
ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate
CID 10779037
ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate
CID 56600076
ethyl (2E)-2-[2-(diethoxymethyl)phenyl]-2-methoxyiminoacetate
CID 11823021
ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 11118700
ethyl 2-methoxyimino-2-[2-[(3-methoxy-2-oxopropanoyl)amino]-1,3-thiazol-4-yl]acetate
CID 139755450
ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate
CID 173419854
ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate
CID 90720155

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate?
The IUPAC name of ethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate (CID 175094276) is ethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate.
What is the SMILES notation for ethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate?
The canonical SMILES for ethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate is CCOC(=O)C(=NOC)c1c[nH]c(N)c1.
What is the InChIKey of ethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate?
The InChIKey is JGUXHOJRIZATNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-15-9(13)8(12-14-2)6-4-7(10)11-5-6/h4-5,11H,3,10H2,1-2H3.
What are the key properties of ethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate?
ethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate has a molecular weight of 211.22 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate is sourced from PubChem (CID 175094276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).