2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid

C7H10N2O5S — CID 3243165

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid
SMILESCc1noc(C)c1S(=O)(=O)NCC(=O)O
InChIInChI=1S/C7H10N2O5S/c1-4-7(5(2)14-9-4)15(12,13)8-3-6(10)11/h8H,3H2,1-2H3,(H,10,11)
InChIKeyABSWQWNBMXYAMR-UHFFFAOYSA-N
MW234.23 g/mol
LogP-0.35
Rot. Bonds4

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid (PubChem CID 3243165) has the molecular formula C7H10N2O5S and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid
PubChem CID3243165
Molecular FormulaC7H10N2O5S
Molecular Weight234.23 g/mol
Exact Mass234.03
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid
SMILESCc1noc(C)c1S(=O)(=O)NCC(=O)O
InChIInChI=1S/C7H10N2O5S/c1-4-7(5(2)14-9-4)15(12,13)8-3-6(10)11/h8H,3H2,1-2H3,(H,10,11)
InChIKeyABSWQWNBMXYAMR-UHFFFAOYSA-N
XLogP-0.35
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid (CID 3243165) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid is Cc1noc(C)c1S(=O)(=O)NCC(=O)O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid?
The InChIKey is ABSWQWNBMXYAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5S/c1-4-7(5(2)14-9-4)15(12,13)8-3-6(10)11/h8H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid has a molecular weight of 234.23 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 3243165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).