3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid

C11H12F3N3O2 — CID 107325193

IUPAC3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-2-1-4-16-8(7)17-5-3-10(15,6-17)9(18)19/h1-2,4H,3,5-6,15H2,(H,18,19)
InChIKeyKRFBTFASBGVGBA-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.09
Rot. Bonds2

About 3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid

3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid (PubChem CID 107325193) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
PubChem CID107325193
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-2-1-4-16-8(7)17-5-3-10(15,6-17)9(18)19/h1-2,4H,3,5-6,15H2,(H,18,19)
InChIKeyKRFBTFASBGVGBA-UHFFFAOYSA-N
XLogP1.09
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 107325295
4-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]azepan-4-ol
CID 107407458
4-oxo-4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butanoic acid
CID 2741588
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69192086
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
(3S,4S)-4-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 122063982
2-methyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 2781743
3-amino-1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 107325367
(2S)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 28873916
3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid
CID 107325364

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid (CID 107325193) is 3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(c2ncccc2C(F)(F)F)C1.
What is the InChIKey of 3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
The InChIKey is KRFBTFASBGVGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)7-2-1-4-16-8(7)17-5-3-10(15,6-17)9(18)19/h1-2,4H,3,5-6,15H2,(H,18,19).
What are the key properties of 3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).