(2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid

C12H12F3N3O3 — CID 82794817

IUPAC(2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H12F3N3O3/c13-12(14,15)9-4-3-7(6-16-9)17-11(21)18-5-1-2-8(18)10(19)20/h3-4,6,8H,1-2,5H2,(H,17,21)(H,19,20)/t8-/m1/s1
InChIKeyBMQSECGDBGFWTC-MRVPVSSYSA-N
MW303.24 g/mol
LogP2.18
Rot. Bonds2

About (2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 82794817) has the molecular formula C12H12F3N3O3 and a molecular weight of 303.24 g/mol. Its IUPAC name is (2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID82794817
Molecular FormulaC12H12F3N3O3
Molecular Weight303.24 g/mol
Exact Mass303.08
IUPAC Name(2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H12F3N3O3/c13-12(14,15)9-4-3-7(6-16-9)17-11(21)18-5-1-2-8(18)10(19)20/h3-4,6,8H,1-2,5H2,(H,17,21)(H,19,20)/t8-/m1/s1
InChIKeyBMQSECGDBGFWTC-MRVPVSSYSA-N
XLogP2.18
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 82794817) is (2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of (2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BMQSECGDBGFWTC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12F3N3O3/c13-12(14,15)9-4-3-7(6-16-9)17-11(21)18-5-1-2-8(18)10(19)20/h3-4,6,8H,1-2,5H2,(H,17,21)(H,19,20)/t8-/m1/s1.
What are the key properties of (2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 303.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82794817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).