1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C12H17F3N2O3 — CID 81141651

IUPAC1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C([C@@H]1CCCNC1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)11(10(19)20)3-5-17(7-11)9(18)8-2-1-4-16-6-8/h8,16H,1-7H2,(H,19,20)/t8-,11?/m1/s1
InChIKeyAHFKRELTICPSJW-RZZZFEHKSA-N
MW294.27 g/mol
LogP0.85
Rot. Bonds2

About 1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 81141651) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID81141651
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C([C@@H]1CCCNC1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)11(10(19)20)3-5-17(7-11)9(18)8-2-1-4-16-6-8/h8,16H,1-7H2,(H,19,20)/t8-,11?/m1/s1
InChIKeyAHFKRELTICPSJW-RZZZFEHKSA-N
XLogP0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 81141651) is 1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C([C@@H]1CCCNC1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is AHFKRELTICPSJW-RZZZFEHKSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c13-12(14,15)11(10(19)20)3-5-17(7-11)9(18)8-2-1-4-16-6-8/h8,16H,1-7H2,(H,19,20)/t8-,11?/m1/s1.
What are the key properties of 1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 294.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 81141651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).