2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid

C11H19N3O4S — CID 55030199

IUPAC2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid
SMILESCCCn1cc(S(=O)(=O)NC(CC)C(=O)O)nc1C
InChIInChI=1S/C11H19N3O4S/c1-4-6-14-7-10(12-8(14)3)19(17,18)13-9(5-2)11(15)16/h7,9,13H,4-6H2,1-3H3,(H,15,16)
InChIKeySQTTWZDUJDCZBS-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.74
Rot. Bonds7

About 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid

2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid (PubChem CID 55030199) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid
PubChem CID55030199
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid
SMILESCCCn1cc(S(=O)(=O)NC(CC)C(=O)O)nc1C
InChIInChI=1S/C11H19N3O4S/c1-4-6-14-7-10(12-8(14)3)19(17,18)13-9(5-2)11(15)16/h7,9,13H,4-6H2,1-3H3,(H,15,16)
InChIKeySQTTWZDUJDCZBS-UHFFFAOYSA-N
XLogP0.74
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid?
The IUPAC name of 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid (CID 55030199) is 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid is CCCn1cc(S(=O)(=O)NC(CC)C(=O)O)nc1C.
What is the InChIKey of 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid?
The InChIKey is SQTTWZDUJDCZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-4-6-14-7-10(12-8(14)3)19(17,18)13-9(5-2)11(15)16/h7,9,13H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid?
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid has a molecular weight of 289.36 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 55030199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).