(2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid

C10H11F3N4O4 — CID 166398810

IUPAC(2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)Cn1cnc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N4O4/c11-10(12,13)9-14-4-16(15-9)3-7(19)17-2-5(18)1-6(17)8(20)21/h4-6,18H,1-3H2,(H,20,21)/t5-,6-/m1/s1
InChIKeyIOFCXMCSHMSMAY-PHDIDXHHSA-N
MW308.22 g/mol
LogP-0.66
Rot. Bonds3

About (2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 166398810) has the molecular formula C10H11F3N4O4 and a molecular weight of 308.22 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID166398810
Molecular FormulaC10H11F3N4O4
Molecular Weight308.22 g/mol
Exact Mass308.07
IUPAC Name(2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)Cn1cnc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N4O4/c11-10(12,13)9-14-4-16(15-9)3-7(19)17-2-5(18)1-6(17)8(20)21/h4-6,18H,1-3H2,(H,20,21)/t5-,6-/m1/s1
InChIKeyIOFCXMCSHMSMAY-PHDIDXHHSA-N
XLogP-0.66
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid (CID 166398810) is (2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)Cn1cnc(C(F)(F)F)n1.
What is the InChIKey of (2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IOFCXMCSHMSMAY-PHDIDXHHSA-N. The full InChI is InChI=1S/C10H11F3N4O4/c11-10(12,13)9-14-4-16(15-9)3-7(19)17-2-5(18)1-6(17)8(20)21/h4-6,18H,1-3H2,(H,20,21)/t5-,6-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 308.22 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-[2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 166398810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).