methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate

C11H18N2O2 — CID 43538211

IUPACmethyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
SMILESCOC(=O)C(C)Cn1ccnc1C(C)C
InChIInChI=1S/C11H18N2O2/c1-8(2)10-12-5-6-13(10)7-9(3)11(14)15-4/h5-6,8-9H,7H2,1-4H3
InChIKeyXCUUDMGXBUVZLJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.82
Rot. Bonds4

About methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate

methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate (PubChem CID 43538211) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
PubChem CID43538211
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namemethyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
SMILESCOC(=O)C(C)Cn1ccnc1C(C)C
InChIInChI=1S/C11H18N2O2/c1-8(2)10-12-5-6-13(10)7-9(3)11(14)15-4/h5-6,8-9H,7H2,1-4H3
InChIKeyXCUUDMGXBUVZLJ-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-3-(2-propan-2-ylimidazol-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

Related Compounds

methyl 2-phenyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 64564775
(2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
CID 28794327
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 167840548
(2-propan-2-ylimidazol-1-yl)methyl 2-methylprop-2-enoate
CID 139855142
N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine
CID 107506086
2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide
CID 63053675
methyl 2-propan-2-ylimidazole-1-carboxylate
CID 59953857
1-(2-methoxyethoxymethyl)-2-propan-2-ylimidazole
CID 90402630
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632
2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 63921265
methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropanoate
CID 63014330

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate?
The IUPAC name of methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate (CID 43538211) is methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate?
The canonical SMILES for methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate is COC(=O)C(C)Cn1ccnc1C(C)C.
What is the InChIKey of methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate?
The InChIKey is XCUUDMGXBUVZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)10-12-5-6-13(10)7-9(3)11(14)15-4/h5-6,8-9H,7H2,1-4H3.
What are the key properties of methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate?
methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate has a molecular weight of 210.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate is sourced from PubChem (CID 43538211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).