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

C12H19F3N2O2 — CID 107320831

IUPAC3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)8-2-1-3-9(6-8)17-5-4-11(16,7-17)10(18)19/h8-9H,1-7,16H2,(H,18,19)
InChIKeyRRCONLVGKZUUMD-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.60
Rot. Bonds2

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

3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid (PubChem CID 107320831) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
PubChem CID107320831
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)8-2-1-3-9(6-8)17-5-4-11(16,7-17)10(18)19/h8-9H,1-7,16H2,(H,18,19)
InChIKeyRRCONLVGKZUUMD-UHFFFAOYSA-N
XLogP1.60
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid (CID 107320831) is 3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RRCONLVGKZUUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)8-2-1-3-9(6-8)17-5-4-11(16,7-17)10(18)19/h8-9H,1-7,16H2,(H,18,19).
What are the key properties of 3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid has a molecular weight of 280.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107320831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).