2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid

C10H13F3N4O4S — CID 70945866

IUPAC2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid
SMILESCc1cc(C(F)(F)F)nc(CNS(=O)(=O)CC(N)C(=O)O)n1
InChIInChI=1S/C10H13F3N4O4S/c1-5-2-7(10(11,12)13)17-8(16-5)3-15-22(20,21)4-6(14)9(18)19/h2,6,15H,3-4,14H2,1H3,(H,18,19)
InChIKeyZBRHNNHXODUBCS-UHFFFAOYSA-N
MW342.30 g/mol
LogP-0.36
Rot. Bonds6

About 2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid

2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid (PubChem CID 70945866) has the molecular formula C10H13F3N4O4S and a molecular weight of 342.30 g/mol. Its IUPAC name is 2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid
PubChem CID70945866
Molecular FormulaC10H13F3N4O4S
Molecular Weight342.30 g/mol
Exact Mass342.06
IUPAC Name2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid
SMILESCc1cc(C(F)(F)F)nc(CNS(=O)(=O)CC(N)C(=O)O)n1
InChIInChI=1S/C10H13F3N4O4S/c1-5-2-7(10(11,12)13)17-8(16-5)3-15-22(20,21)4-6(14)9(18)19/h2,6,15H,3-4,14H2,1H3,(H,18,19)
InChIKeyZBRHNNHXODUBCS-UHFFFAOYSA-N
XLogP-0.36
TPSA135.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid?
The IUPAC name of 2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid (CID 70945866) is 2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid?
The canonical SMILES for 2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid is Cc1cc(C(F)(F)F)nc(CNS(=O)(=O)CC(N)C(=O)O)n1.
What is the InChIKey of 2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid?
The InChIKey is ZBRHNNHXODUBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O4S/c1-5-2-7(10(11,12)13)17-8(16-5)3-15-22(20,21)4-6(14)9(18)19/h2,6,15H,3-4,14H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid?
2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid has a molecular weight of 342.30 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid is sourced from PubChem (CID 70945866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).