ethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate

C11H19N3O2 — CID 62351128

IUPACethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(N)Cn1cnc(C)c1C
InChIInChI=1S/C11H19N3O2/c1-5-16-10(15)11(4,12)6-14-7-13-8(2)9(14)3/h7H,5-6,12H2,1-4H3
InChIKeyBYPJSINHQQDDOQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.78
Rot. Bonds4

About ethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate

ethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate (PubChem CID 62351128) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate
PubChem CID62351128
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(N)Cn1cnc(C)c1C
InChIInChI=1S/C11H19N3O2/c1-5-16-10(15)11(4,12)6-14-7-13-8(2)9(14)3/h7H,5-6,12H2,1-4H3
InChIKeyBYPJSINHQQDDOQ-UHFFFAOYSA-N
XLogP0.78
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4,5-dimethylimidazol-1-yl)-2-fluoroacetate
CID 81297761
Propyl 3-(4,5-dimethylimidazol-1-yl)propanoate
CID 19975451
Ethyl 2-(2,4,5-trimethylimidazol-1-yl)propanoate
CID 21283680
Ethyl 2-(4,5-dimethylimidazol-1-yl)acetate
CID 53790128
Propyl 2-(4,5-dimethylimidazol-1-yl)acetate
CID 53856714
Methyl 3-(4,5-dimethylimidazol-1-yl)propanoate
CID 53897055
Propyl 4-(4,5-dimethylimidazol-1-yl)butanoate
CID 54121713
Methyl 2-(4,5-dimethylimidazol-1-yl)acetate
CID 54193685
Propan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate
CID 54219397
Propan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate
CID 54309456
Ethyl 3-(4,5-dimethylimidazol-1-yl)propanoate
CID 54409386
Ethyl 4-(4,5-dimethylimidazol-1-yl)butanoate
CID 54507913

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate (CID 62351128) is ethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate is CCOC(=O)C(C)(N)Cn1cnc(C)c1C.
What is the InChIKey of ethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate?
The InChIKey is BYPJSINHQQDDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-16-10(15)11(4,12)6-14-7-13-8(2)9(14)3/h7H,5-6,12H2,1-4H3.
What are the key properties of ethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate?
ethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate has a molecular weight of 225.29 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate is sourced from PubChem (CID 62351128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).