2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid

C10H17N3O2 — CID 165485276

IUPAC2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid
SMILESCc1cn(CCC(C)(N)C(=O)O)c(C)n1
InChIInChI=1S/C10H17N3O2/c1-7-6-13(8(2)12-7)5-4-10(3,11)9(14)15/h6H,4-5,11H2,1-3H3,(H,14,15)
InChIKeyARNZWFRDMSXQPL-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.69
Rot. Bonds4

About 2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid

2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid (PubChem CID 165485276) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid
PubChem CID165485276
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid
SMILESCc1cn(CCC(C)(N)C(=O)O)c(C)n1
InChIInChI=1S/C10H17N3O2/c1-7-6-13(8(2)12-7)5-4-10(3,11)9(14)15/h6H,4-5,11H2,1-3H3,(H,14,15)
InChIKeyARNZWFRDMSXQPL-UHFFFAOYSA-N
XLogP0.69
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid
CID 165490156
1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide
CID 70981835
2,4-dimethyl-1-pentylimidazole
CID 134592157
1-butyl-2,4-dimethylimidazole
CID 69009415
2-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanoic acid
CID 62403777
1-(3-bromopropyl)-2,4-dimethylimidazole
CID 174851128
acetic acid;1,2,4-trimethylimidazole
CID 174938383
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2-amino-5-(4-ethylpyrazol-1-yl)-2-methylpentanoic acid
CID 165495298
1-(2,4-dimethylimidazol-1-yl)-N,N-dimethylmethanamine
CID 86259383
2-amino-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentanoic acid
CID 64705505
[5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate
CID 174584363

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid?
The IUPAC name of 2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid (CID 165485276) is 2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid.
What is the SMILES notation for 2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid?
The canonical SMILES for 2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid is Cc1cn(CCC(C)(N)C(=O)O)c(C)n1.
What is the InChIKey of 2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid?
The InChIKey is ARNZWFRDMSXQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-6-13(8(2)12-7)5-4-10(3,11)9(14)15/h6H,4-5,11H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid?
2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid is sourced from PubChem (CID 165485276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).