ethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate

C11H18N2O2 — CID 21283680

IUPACethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate
SMILESCCOC(=O)C(C)n1c(C)nc(C)c1C
InChIInChI=1S/C11H18N2O2/c1-6-15-11(14)9(4)13-8(3)7(2)12-10(13)5/h9H,6H2,1-5H3
InChIKeySWMINCIPQYUEHI-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.93
Rot. Bonds3

About ethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate

ethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate (PubChem CID 21283680) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate
PubChem CID21283680
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate
SMILESCCOC(=O)C(C)n1c(C)nc(C)c1C
InChIInChI=1S/C11H18N2O2/c1-6-15-11(14)9(4)13-8(3)7(2)12-10(13)5/h9H,6H2,1-5H3
InChIKeySWMINCIPQYUEHI-UHFFFAOYSA-N
XLogP1.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate?
The IUPAC name of ethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate (CID 21283680) is ethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate?
The canonical SMILES for ethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate is CCOC(=O)C(C)n1c(C)nc(C)c1C.
What is the InChIKey of ethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate?
The InChIKey is SWMINCIPQYUEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-6-15-11(14)9(4)13-8(3)7(2)12-10(13)5/h9H,6H2,1-5H3.
What are the key properties of ethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate?
ethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate has a molecular weight of 210.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate is sourced from PubChem (CID 21283680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).