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

C7H10N2O2 — CID 67005810

IUPACmethyl 2-(1H-imidazol-2-yl)propanoate
SMILESCOC(=O)C(C)c1ncc[nH]1
InChIInChI=1S/C7H10N2O2/c1-5(7(10)11-2)6-8-3-4-9-6/h3-5H,1-2H3,(H,8,9)
InChIKeyPUKVGYPBVJOFHT-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.69
Rot. Bonds2

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

methyl 2-(1H-imidazol-2-yl)propanoate (PubChem CID 67005810) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is methyl 2-(1H-imidazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(1H-imidazol-2-yl)propanoate
PubChem CID67005810
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Namemethyl 2-(1H-imidazol-2-yl)propanoate
SMILESCOC(=O)C(C)c1ncc[nH]1
InChIInChI=1S/C7H10N2O2/c1-5(7(10)11-2)6-8-3-4-9-6/h3-5H,1-2H3,(H,8,9)
InChIKeyPUKVGYPBVJOFHT-UHFFFAOYSA-N
XLogP0.69
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-imidazol-2-yl)propanoate?
The IUPAC name of methyl 2-(1H-imidazol-2-yl)propanoate (CID 67005810) is methyl 2-(1H-imidazol-2-yl)propanoate.
What is the SMILES notation for methyl 2-(1H-imidazol-2-yl)propanoate?
The canonical SMILES for methyl 2-(1H-imidazol-2-yl)propanoate is COC(=O)C(C)c1ncc[nH]1.
What is the InChIKey of methyl 2-(1H-imidazol-2-yl)propanoate?
The InChIKey is PUKVGYPBVJOFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(7(10)11-2)6-8-3-4-9-6/h3-5H,1-2H3,(H,8,9).
What are the key properties of methyl 2-(1H-imidazol-2-yl)propanoate?
methyl 2-(1H-imidazol-2-yl)propanoate has a molecular weight of 154.17 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-imidazol-2-yl)propanoate is sourced from PubChem (CID 67005810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).