methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate

C11H18N2O2 — CID 116880471

IUPACmethyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate
SMILESCOC(=O)C(C)(C)c1ncc(C(C)C)[nH]1
InChIInChI=1S/C11H18N2O2/c1-7(2)8-6-12-9(13-8)11(3,4)10(14)15-5/h6-7H,1-5H3,(H,12,13)
InChIKeyWXFXBBFWLANCCI-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.98
Rot. Bonds3

About methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate

methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate (PubChem CID 116880471) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate
PubChem CID116880471
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namemethyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate
SMILESCOC(=O)C(C)(C)c1ncc(C(C)C)[nH]1
InChIInChI=1S/C11H18N2O2/c1-7(2)8-6-12-9(13-8)11(3,4)10(14)15-5/h6-7H,1-5H3,(H,12,13)
InChIKeyWXFXBBFWLANCCI-UHFFFAOYSA-N
XLogP1.98
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate (CID 116880471) is methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate is COC(=O)C(C)(C)c1ncc(C(C)C)[nH]1.
What is the InChIKey of methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate?
The InChIKey is WXFXBBFWLANCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)8-6-12-9(13-8)11(3,4)10(14)15-5/h6-7H,1-5H3,(H,12,13).
What are the key properties of methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate?
methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate has a molecular weight of 210.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate is sourced from PubChem (CID 116880471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).