ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate

C10H18N2O2 — CID 18624583

IUPACethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1C=CN(C)C1
InChIInChI=1S/C10H18N2O2/c1-4-9(10(13)14-5-2)12-7-6-11(3)8-12/h6-7,9H,4-5,8H2,1-3H3
InChIKeyZBEATGYYUVTAHR-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.00
Rot. Bonds4

About ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate

ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate (PubChem CID 18624583) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate
PubChem CID18624583
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1C=CN(C)C1
InChIInChI=1S/C10H18N2O2/c1-4-9(10(13)14-5-2)12-7-6-11(3)8-12/h6-7,9H,4-5,8H2,1-3H3
InChIKeyZBEATGYYUVTAHR-UHFFFAOYSA-N
XLogP1.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate?
The IUPAC name of ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate (CID 18624583) is ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate?
The canonical SMILES for ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate is CCOC(=O)C(CC)N1C=CN(C)C1.
What is the InChIKey of ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate?
The InChIKey is ZBEATGYYUVTAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-9(10(13)14-5-2)12-7-6-11(3)8-12/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate?
ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate has a molecular weight of 198.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate is sourced from PubChem (CID 18624583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).