propan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate

C11H18N2O2 — CID 54309456

IUPACpropan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate
SMILESCc1ncn(CCC(=O)OC(C)C)c1C
InChIInChI=1S/C11H18N2O2/c1-8(2)15-11(14)5-6-13-7-12-9(3)10(13)4/h7-8H,5-6H2,1-4H3
InChIKeyGGKOCYQEAQSLDZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.84
Rot. Bonds4

About propan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate

propan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate (PubChem CID 54309456) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is propan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate
PubChem CID54309456
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namepropan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate
SMILESCc1ncn(CCC(=O)OC(C)C)c1C
InChIInChI=1S/C11H18N2O2/c1-8(2)15-11(14)5-6-13-7-12-9(3)10(13)4/h7-8H,5-6H2,1-4H3
InChIKeyGGKOCYQEAQSLDZ-UHFFFAOYSA-N
XLogP1.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate?
The IUPAC name of propan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate (CID 54309456) is propan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate.
What is the SMILES notation for propan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate?
The canonical SMILES for propan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate is Cc1ncn(CCC(=O)OC(C)C)c1C.
What is the InChIKey of propan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate?
The InChIKey is GGKOCYQEAQSLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)15-11(14)5-6-13-7-12-9(3)10(13)4/h7-8H,5-6H2,1-4H3.
What are the key properties of propan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate?
propan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate has a molecular weight of 210.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4,5-dimethylimidazol-1-yl)propanoate is sourced from PubChem (CID 54309456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).