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

C8H9F3N2O3S — CID 106382333

IUPAC3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid
SMILESO=C(O)C(CNCc1csc(=O)[nH]1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O3S/c9-8(10,11)5(6(14)15)2-12-1-4-3-17-7(16)13-4/h3,5,12H,1-2H2,(H,13,16)(H,14,15)
InChIKeyCWMVHGMYHMJPQE-UHFFFAOYSA-N
MW270.23 g/mol
LogP0.79
Rot. Bonds5

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

3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid (PubChem CID 106382333) has the molecular formula C8H9F3N2O3S and a molecular weight of 270.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid
PubChem CID106382333
Molecular FormulaC8H9F3N2O3S
Molecular Weight270.23 g/mol
Exact Mass270.03
IUPAC Name3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid
SMILESO=C(O)C(CNCc1csc(=O)[nH]1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O3S/c9-8(10,11)5(6(14)15)2-12-1-4-3-17-7(16)13-4/h3,5,12H,1-2H2,(H,13,16)(H,14,15)
InChIKeyCWMVHGMYHMJPQE-UHFFFAOYSA-N
XLogP0.79
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380666
2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 106380859
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380874
methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380904
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 106380908
2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380983
2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106382352
2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]prop-2-enoic acid
CID 106382355

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid (CID 106382333) is 3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid is O=C(O)C(CNCc1csc(=O)[nH]1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid?
The InChIKey is CWMVHGMYHMJPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3S/c9-8(10,11)5(6(14)15)2-12-1-4-3-17-7(16)13-4/h3,5,12H,1-2H2,(H,13,16)(H,14,15).
What are the key properties of 3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid has a molecular weight of 270.23 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid is sourced from PubChem (CID 106382333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).