2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid

C10H11F3N2O4S2 — CID 167932394

IUPAC2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCN1S(=O)(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O4S2/c11-10(12,13)9-14-7(5-20-9)21(18,19)15-3-1-2-6(15)4-8(16)17/h5-6H,1-4H2,(H,16,17)/t6-/m1/s1
InChIKeyBUGWRZCYFPZWAT-ZCFIWIBFSA-N
MW344.34 g/mol
LogP1.79
Rot. Bonds4

About 2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid

2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid (PubChem CID 167932394) has the molecular formula C10H11F3N2O4S2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid
PubChem CID167932394
Molecular FormulaC10H11F3N2O4S2
Molecular Weight344.34 g/mol
Exact Mass344.01
IUPAC Name2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCN1S(=O)(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O4S2/c11-10(12,13)9-14-7(5-20-9)21(18,19)15-3-1-2-6(15)4-8(16)17/h5-6H,1-4H2,(H,16,17)/t6-/m1/s1
InChIKeyBUGWRZCYFPZWAT-ZCFIWIBFSA-N
XLogP1.79
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid (CID 167932394) is 2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid is O=C(O)C[C@H]1CCCN1S(=O)(=O)c1csc(C(F)(F)F)n1.
What is the InChIKey of 2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is BUGWRZCYFPZWAT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11F3N2O4S2/c11-10(12,13)9-14-7(5-20-9)21(18,19)15-3-1-2-6(15)4-8(16)17/h5-6H,1-4H2,(H,16,17)/t6-/m1/s1.
What are the key properties of 2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid?
2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 344.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]sulfonyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 167932394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).