2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid

C9H15N3O4S — CID 55030383

IUPAC2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCc1nc(S(=O)(=O)NC(C)(C)C(=O)O)cn1C
InChIInChI=1S/C9H15N3O4S/c1-6-10-7(5-12(6)4)17(15,16)11-9(2,3)8(13)14/h5,11H,1-4H3,(H,13,14)
InChIKeyZVYHJVGBOAQIKQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.13
Rot. Bonds4

About 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid

2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 55030383) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid
PubChem CID55030383
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCc1nc(S(=O)(=O)NC(C)(C)C(=O)O)cn1C
InChIInChI=1S/C9H15N3O4S/c1-6-10-7(5-12(6)4)17(15,16)11-9(2,3)8(13)14/h5,11H,1-4H3,(H,13,14)
InChIKeyZVYHJVGBOAQIKQ-UHFFFAOYSA-N
XLogP-0.13
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid (CID 55030383) is 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid is Cc1nc(S(=O)(=O)NC(C)(C)C(=O)O)cn1C.
What is the InChIKey of 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is ZVYHJVGBOAQIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-6-10-7(5-12(6)4)17(15,16)11-9(2,3)8(13)14/h5,11H,1-4H3,(H,13,14).
What are the key properties of 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid?
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 261.30 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55030383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).