1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid

C9H15F3N2O2 — CID 81468733

IUPAC1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid
SMILESCC1CC(NCC(F)(F)F)(C(=O)O)CN1C
InChIInChI=1S/C9H15F3N2O2/c1-6-3-8(7(15)16,5-14(6)2)13-4-9(10,11)12/h6,13H,3-5H2,1-2H3,(H,15,16)
InChIKeyGYRATODBJFIMJO-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.69
Rot. Bonds3

About 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid

1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid (PubChem CID 81468733) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid
PubChem CID81468733
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid
SMILESCC1CC(NCC(F)(F)F)(C(=O)O)CN1C
InChIInChI=1S/C9H15F3N2O2/c1-6-3-8(7(15)16,5-14(6)2)13-4-9(10,11)12/h6,13H,3-5H2,1-2H3,(H,15,16)
InChIKeyGYRATODBJFIMJO-UHFFFAOYSA-N
XLogP0.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 54893127
1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carbonitrile
CID 81467805
1,5-dimethyl-3-(methylamino)pyrrolidine-3-carboxamide
CID 81468727
1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid
CID 54892985
3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide
CID 81468825
ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate
CID 81467706
ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate
CID 81467403
[1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol
CID 62976053
1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65463687
ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate
CID 81467504
3-amino-1,5-dimethylpyrrolidine-3-carboxamide
CID 81468515
(1,3,5-trimethylpyrrolidin-3-yl)methanol
CID 72524820

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid (CID 81468733) is 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid is CC1CC(NCC(F)(F)F)(C(=O)O)CN1C.
What is the InChIKey of 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid?
The InChIKey is GYRATODBJFIMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-6-3-8(7(15)16,5-14(6)2)13-4-9(10,11)12/h6,13H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid?
1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 81468733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).