2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid

C9H14N2O2 — CID 116878922

IUPAC2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid
SMILESCc1cnc(CC(C)(C)C(=O)O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-6-5-10-7(11-6)4-9(2,3)8(12)13/h5H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeySQMMVJKDUPAKKO-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.37
Rot. Bonds3

About 2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid

2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid (PubChem CID 116878922) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid
PubChem CID116878922
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid
SMILESCc1cnc(CC(C)(C)C(=O)O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-6-5-10-7(11-6)4-9(2,3)8(12)13/h5H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeySQMMVJKDUPAKKO-UHFFFAOYSA-N
XLogP1.37
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene-1,3-dicarboxylic acid;2-ethyl-5-methyl-1H-imidazole
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N,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide
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CID 175233051
CID 175233051
2-[(4-tert-butylphenyl)methyl]-1H-imidazole-5-carboxylic acid
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methyl 2-(2,2-dimethylpropyl)-1H-imidazole-5-carboxylate
CID 63891750
2,2-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]propanoic acid
CID 115427683
2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid
CID 62251177
N,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 77082230
2,5-dimethyl-1H-imidazole;urea
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3-(4-hydroxy-2-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid (CID 116878922) is 2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid is Cc1cnc(CC(C)(C)C(=O)O)[nH]1.
What is the InChIKey of 2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid?
The InChIKey is SQMMVJKDUPAKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-5-10-7(11-6)4-9(2,3)8(12)13/h5H,4H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid?
2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid is sourced from PubChem (CID 116878922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).