ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate

C9H15N3O3 — CID 138389539

IUPACethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate
SMILES[H]/N=C1\NC(=O)N(CC)C1CC(=O)OCC
InChIInChI=1S/C9H15N3O3/c1-3-12-6(5-7(13)15-4-2)8(10)11-9(12)14/h6H,3-5H2,1-2H3,(H2,10,11,14)
InChIKeyDMQCKNHACXGRHV-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.33
Rot. Bonds4

About ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate

ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate (PubChem CID 138389539) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate
PubChem CID138389539
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Nameethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate
SMILES[H]/N=C1\NC(=O)N(CC)C1CC(=O)OCC
InChIInChI=1S/C9H15N3O3/c1-3-12-6(5-7(13)15-4-2)8(10)11-9(12)14/h6H,3-5H2,1-2H3,(H2,10,11,14)
InChIKeyDMQCKNHACXGRHV-UHFFFAOYSA-N
XLogP0.33
TPSA82.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate?
The IUPAC name of ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate (CID 138389539) is ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate is [H]/N=C1\NC(=O)N(CC)C1CC(=O)OCC.
What is the InChIKey of ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate?
The InChIKey is DMQCKNHACXGRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-12-6(5-7(13)15-4-2)8(10)11-9(12)14/h6H,3-5H2,1-2H3,(H2,10,11,14).
What are the key properties of ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate?
ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate has a molecular weight of 213.24 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate is sourced from PubChem (CID 138389539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).