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

C10H13F3N4O4S — CID 70945864

IUPAC(2R)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid
SMILESCc1cc(C(F)(F)F)nc(CNS(=O)(=O)C[C@H](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)/t6-/m0/s1
InChIKeyZBRHNNHXODUBCS-LURJTMIESA-N
MW342.30 g/mol
LogP-0.36
Rot. Bonds6

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

(2R)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid (PubChem CID 70945864) has the molecular formula C10H13F3N4O4S and a molecular weight of 342.30 g/mol. Its IUPAC name is (2R)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid
PubChem CID70945864
Molecular FormulaC10H13F3N4O4S
Molecular Weight342.30 g/mol
Exact Mass342.06
IUPAC Name(2R)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid
SMILESCc1cc(C(F)(F)F)nc(CNS(=O)(=O)C[C@H](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)/t6-/m0/s1
InChIKeyZBRHNNHXODUBCS-LURJTMIESA-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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Related Compounds

N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}butane-1-sulfonamide
CID 71797010
N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}cyclopropanesulfonamide
CID 71797009
(2S)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylcarbamoylamino]propanoic acid
CID 67154294
2-Amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylcarbamoylamino]propanoic acid
CID 67154303
(2S)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoylamino]propanoic acid
CID 67154928
2-Amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl-sulfamoylamino]propanoic acid
CID 67154930
(2S)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl-sulfamoylamino]propanoic acid
CID 67154933
2-Amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid
CID 70945866
2-Amino-4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl-sulfamoylamino]butanoic acid
CID 123588531
3-[[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid
CID 124027801
(2S)-2-amino-4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl-sulfamoylamino]butanoic acid
CID 144190634
(2S)-2-amino-4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]butanoic acid
CID 144190647

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid (CID 70945864) is (2R)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid is Cc1cc(C(F)(F)F)nc(CNS(=O)(=O)C[C@H](N)C(=O)O)n1.
What is the InChIKey of (2R)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid?
The InChIKey is ZBRHNNHXODUBCS-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of (2R)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid?
(2R)-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 (2R)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid is sourced from PubChem (CID 70945864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).