2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate

C10H18N2O3 — CID 68728136

IUPAC2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate
SMILESCCOCCOC(=O)C(C)N1C=CNC1
InChIInChI=1S/C10H18N2O3/c1-3-14-6-7-15-10(13)9(2)12-5-4-11-8-12/h4-5,9,11H,3,6-8H2,1-2H3
InChIKeyLEDNJCCOXIWKTM-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.29
Rot. Bonds6

About 2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate

2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate (PubChem CID 68728136) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate.

Molecular Properties

Compound Name2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate
PubChem CID68728136
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate
SMILESCCOCCOC(=O)C(C)N1C=CNC1
InChIInChI=1S/C10H18N2O3/c1-3-14-6-7-15-10(13)9(2)12-5-4-11-8-12/h4-5,9,11H,3,6-8H2,1-2H3
InChIKeyLEDNJCCOXIWKTM-UHFFFAOYSA-N
XLogP0.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate?
The IUPAC name of 2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate (CID 68728136) is 2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate.
What is the SMILES notation for 2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate?
The canonical SMILES for 2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate is CCOCCOC(=O)C(C)N1C=CNC1.
What is the InChIKey of 2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate?
The InChIKey is LEDNJCCOXIWKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-14-6-7-15-10(13)9(2)12-5-4-11-8-12/h4-5,9,11H,3,6-8H2,1-2H3.
What are the key properties of 2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate?
2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate has a molecular weight of 214.26 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-(1,2-dihydroimidazol-3-yl)propanoate is sourced from PubChem (CID 68728136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).