4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid

C11H19N3O2 — CID 165490156

IUPAC4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid
SMILESCNC(C)(CCn1cc(C)nc1C)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-8-7-14(9(2)13-8)6-5-11(3,12-4)10(15)16/h7,12H,5-6H2,1-4H3,(H,15,16)
InChIKeyZWVFEGKAUYAJGL-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.95
Rot. Bonds5

About 4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid

4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid (PubChem CID 165490156) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid
PubChem CID165490156
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid
SMILESCNC(C)(CCn1cc(C)nc1C)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-8-7-14(9(2)13-8)6-5-11(3,12-4)10(15)16/h7,12H,5-6H2,1-4H3,(H,15,16)
InChIKeyZWVFEGKAUYAJGL-UHFFFAOYSA-N
XLogP0.95
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid
CID 165485276
2,4-dimethyl-1-pentylimidazole
CID 134592157
5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(methylamino)pentanoic acid
CID 55071207
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(methylamino)hexanoic acid
CID 62304306
1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide
CID 70981835
1-butyl-2,4-dimethylimidazole
CID 69009415
1-(2,4-dimethylimidazol-1-yl)-N,N-dimethylmethanamine
CID 86259383
1-(3-bromopropyl)-2,4-dimethylimidazole
CID 174851128
acetic acid;1,2,4-trimethylimidazole
CID 174938383
2-methyl-2-(methylamino)-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanoic acid
CID 114001504
4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid
CID 63159226
2-methyl-2-(methylamino)pentadecanoic acid
CID 90221334

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid?
The IUPAC name of 4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid (CID 165490156) is 4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid?
The canonical SMILES for 4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid is CNC(C)(CCn1cc(C)nc1C)C(=O)O.
What is the InChIKey of 4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid?
The InChIKey is ZWVFEGKAUYAJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-7-14(9(2)13-8)6-5-11(3,12-4)10(15)16/h7,12H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid?
4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid has a molecular weight of 225.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid is sourced from PubChem (CID 165490156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).