ethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate

C12H20N2O2 — CID 132917607

IUPACethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate
SMILESCCOC(=O)C(C)c1ncc(C)n1C(C)C
InChIInChI=1S/C12H20N2O2/c1-6-16-12(15)10(5)11-13-7-9(4)14(11)8(2)3/h7-8,10H,6H2,1-5H3
InChIKeyWZONKXAOFDODJU-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.44
Rot. Bonds4

About ethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate

ethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate (PubChem CID 132917607) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate
PubChem CID132917607
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nameethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate
SMILESCCOC(=O)C(C)c1ncc(C)n1C(C)C
InChIInChI=1S/C12H20N2O2/c1-6-16-12(15)10(5)11-13-7-9(4)14(11)8(2)3/h7-8,10H,6H2,1-5H3
InChIKeyWZONKXAOFDODJU-UHFFFAOYSA-N
XLogP2.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-(methylamino)-2-(6-methyl-3-pyridinyl)acetate
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ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate
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ethyl 2-(1,3-thiazol-2-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate?
The IUPAC name of ethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate (CID 132917607) is ethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate is CCOC(=O)C(C)c1ncc(C)n1C(C)C.
What is the InChIKey of ethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate?
The InChIKey is WZONKXAOFDODJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-6-16-12(15)10(5)11-13-7-9(4)14(11)8(2)3/h7-8,10H,6H2,1-5H3.
What are the key properties of ethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate?
ethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate has a molecular weight of 224.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate is sourced from PubChem (CID 132917607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).