(2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid

C12H11F3N2O4 — CID 102945582

IUPAC(2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H11F3N2O4/c13-12(14,15)9-4-1-6(5-16-9)17-10(18)7-2-3-8(21-7)11(19)20/h1,4-5,7-8H,2-3H2,(H,17,18)(H,19,20)/t7-,8+/m0/s1
InChIKeyJFNLPKVYYQTBGK-JGVFFNPUSA-N
MW304.22 g/mol
LogP1.67
Rot. Bonds3

About (2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945582) has the molecular formula C12H11F3N2O4 and a molecular weight of 304.22 g/mol. Its IUPAC name is (2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945582
Molecular FormulaC12H11F3N2O4
Molecular Weight304.22 g/mol
Exact Mass304.07
IUPAC Name(2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H11F3N2O4/c13-12(14,15)9-4-1-6(5-16-9)17-10(18)7-2-3-8(21-7)11(19)20/h1,4-5,7-8H,2-3H2,(H,17,18)(H,19,20)/t7-,8+/m0/s1
InChIKeyJFNLPKVYYQTBGK-JGVFFNPUSA-N
XLogP1.67
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid (CID 102945582) is (2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid is O=C(Nc1ccc(C(F)(F)F)nc1)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is JFNLPKVYYQTBGK-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H11F3N2O4/c13-12(14,15)9-4-1-6(5-16-9)17-10(18)7-2-3-8(21-7)11(19)20/h1,4-5,7-8H,2-3H2,(H,17,18)(H,19,20)/t7-,8+/m0/s1.
What are the key properties of (2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 304.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).