(2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid

C16H19F3N2O4 — CID 75384732

IUPAC(2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCC[C@@H]1C(=O)O)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3N2O4/c17-16(18,19)11-3-1-4-12(9-11)25-8-6-20-14(22)10-21-7-2-5-13(21)15(23)24/h1,3-4,9,13H,2,5-8,10H2,(H,20,22)(H,23,24)/t13-/m1/s1
InChIKeyUQEYDUPITBJLSU-CYBMUJFWSA-N
MW360.33 g/mol
LogP1.75
Rot. Bonds7

About (2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 75384732) has the molecular formula C16H19F3N2O4 and a molecular weight of 360.33 g/mol. Its IUPAC name is (2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid
PubChem CID75384732
Molecular FormulaC16H19F3N2O4
Molecular Weight360.33 g/mol
Exact Mass360.13
IUPAC Name(2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCC[C@@H]1C(=O)O)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3N2O4/c17-16(18,19)11-3-1-4-12(9-11)25-8-6-20-14(22)10-21-7-2-5-13(21)15(23)24/h1,3-4,9,13H,2,5-8,10H2,(H,20,22)(H,23,24)/t13-/m1/s1
InChIKeyUQEYDUPITBJLSU-CYBMUJFWSA-N
XLogP1.75
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid (CID 75384732) is (2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid is O=C(CN1CCC[C@@H]1C(=O)O)NCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UQEYDUPITBJLSU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19F3N2O4/c17-16(18,19)11-3-1-4-12(9-11)25-8-6-20-14(22)10-21-7-2-5-13(21)15(23)24/h1,3-4,9,13H,2,5-8,10H2,(H,20,22)(H,23,24)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 360.33 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 75384732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).