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

C10H17N3O4S — CID 62062312

IUPAC2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
SMILESCCCn1cc(S(=O)(=O)NC(C)C(=O)O)nc1C
InChIInChI=1S/C10H17N3O4S/c1-4-5-13-6-9(11-8(13)3)18(16,17)12-7(2)10(14)15/h6-7,12H,4-5H2,1-3H3,(H,14,15)
InChIKeyPZFQRFGGBGTCKT-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.35
Rot. Bonds6

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

2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid (PubChem CID 62062312) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
PubChem CID62062312
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
SMILESCCCn1cc(S(=O)(=O)NC(C)C(=O)O)nc1C
InChIInChI=1S/C10H17N3O4S/c1-4-5-13-6-9(11-8(13)3)18(16,17)12-7(2)10(14)15/h6-7,12H,4-5H2,1-3H3,(H,14,15)
InChIKeyPZFQRFGGBGTCKT-UHFFFAOYSA-N
XLogP0.35
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.35
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]propanoic acid?
The IUPAC name of 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid (CID 62062312) is 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid is CCCn1cc(S(=O)(=O)NC(C)C(=O)O)nc1C.
What is the InChIKey of 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid?
The InChIKey is PZFQRFGGBGTCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-4-5-13-6-9(11-8(13)3)18(16,17)12-7(2)10(14)15/h6-7,12H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid?
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid has a molecular weight of 275.33 g/mol, XLogP of 0.35, 6 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]propanoic acid is sourced from PubChem (CID 62062312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).