2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid

C7H11N3O2 — CID 82412858

IUPAC2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid
SMILESCc1n[nH]nc1C(C)(C)C(=O)O
InChIInChI=1S/C7H11N3O2/c1-4-5(9-10-8-4)7(2,3)6(11)12/h1-3H3,(H,11,12)(H,8,9,10)
InChIKeyGJPFCDANGBWBAI-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.48
Rot. Bonds2

About 2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid

2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid (PubChem CID 82412858) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid
PubChem CID82412858
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid
SMILESCc1n[nH]nc1C(C)(C)C(=O)O
InChIInChI=1S/C7H11N3O2/c1-4-5(9-10-8-4)7(2,3)6(11)12/h1-3H3,(H,11,12)(H,8,9,10)
InChIKeyGJPFCDANGBWBAI-UHFFFAOYSA-N
XLogP0.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-cyclopropyl-2H-triazol-4-yl)-2-methylpropanoic acid
CID 82400386
2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propanoic acid
CID 18739550
5-(5-methyl-2H-triazol-4-yl)-2H-triazole-4-carboxylic acid
CID 131434213
2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
CID 116865676
2-methyl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propanoic acid
CID 105478793
2-methyl-2-(2-methyl-1H-imidazol-5-yl)propanoic acid
CID 82413335
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
5-methyl-2H-triazole-4-sulfinic acid
CID 54099400
2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 83857711
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427297
2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid
CID 82398984
2-(aminomethyl)-3-(5-methyl-2H-triazol-4-yl)propanoic acid
CID 82406730

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid (CID 82412858) is 2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid is Cc1n[nH]nc1C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid?
The InChIKey is GJPFCDANGBWBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-5(9-10-8-4)7(2,3)6(11)12/h1-3H3,(H,11,12)(H,8,9,10).
What are the key properties of 2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid?
2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid has a molecular weight of 169.18 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methyl-2H-triazol-4-yl)propanoic acid is sourced from PubChem (CID 82412858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).