3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid

C10H11F3N2O4S — CID 79796237

IUPAC3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O4S/c1-5-4-20-8(19)15(5)3-6(16)14-9(2,7(17)18)10(11,12)13/h4H,3H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyCGSDDHWRCKCUHV-UHFFFAOYSA-N
MW312.27 g/mol
LogP0.74
Rot. Bonds4

About 3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 79796237) has the molecular formula C10H11F3N2O4S and a molecular weight of 312.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
PubChem CID79796237
Molecular FormulaC10H11F3N2O4S
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Name3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O4S/c1-5-4-20-8(19)15(5)3-6(16)14-9(2,7(17)18)10(11,12)13/h4H,3H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyCGSDDHWRCKCUHV-UHFFFAOYSA-N
XLogP0.74
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79260853
3,3,3-Trifluoro-2-methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 79795390
3,3,3-trifluoro-2-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid
CID 106382924
2-[[2-[2-Oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid
CID 138001968
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid
CID 43354501
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 43355368
2-[[2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465407
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 43469441
(2S)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 61132107
2-Methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 61262258
2-Methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
CID 61263196
2-[Ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 62818776

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid (CID 79796237) is 3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid is Cc1csc(=O)n1CC(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is CGSDDHWRCKCUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4S/c1-5-4-20-8(19)15(5)3-6(16)14-9(2,7(17)18)10(11,12)13/h4H,3H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 312.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 79796237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).