2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid

C7H7F3N2O2S — CID 79824080

IUPAC2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid
SMILESNC(Cc1nccs1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)6(11,5(13)14)3-4-12-1-2-15-4/h1-2H,3,11H2,(H,13,14)
InChIKeyOZRDREAZVMJPPQ-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.03
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid

2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid (PubChem CID 79824080) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid
PubChem CID79824080
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid
SMILESNC(Cc1nccs1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)6(11,5(13)14)3-4-12-1-2-15-4/h1-2H,3,11H2,(H,13,14)
InChIKeyOZRDREAZVMJPPQ-UHFFFAOYSA-N
XLogP1.03
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 79824412
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CID 81358704
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CID 82534713
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CID 165836529
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CID 165843044
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CID 165844625
CID 165844625

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid (CID 79824080) is 2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid is NC(Cc1nccs1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid?
The InChIKey is OZRDREAZVMJPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-7(9,10)6(11,5(13)14)3-4-12-1-2-15-4/h1-2H,3,11H2,(H,13,14).
What are the key properties of 2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid?
2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid has a molecular weight of 240.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-(1,3-thiazol-2-ylmethyl)propanoic acid is sourced from PubChem (CID 79824080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).