5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid

C10H14F3NO4 — CID 83192025

IUPAC5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCCOCC(F)(F)F)C1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)6-18-3-1-2-14-5-7(9(16)17)4-8(14)15/h7H,1-6H2,(H,16,17)
InChIKeyHKPBGDKEGRBKHP-UHFFFAOYSA-N
MW269.22 g/mol
LogP0.89
Rot. Bonds6

About 5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid (PubChem CID 83192025) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid
PubChem CID83192025
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCCOCC(F)(F)F)C1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)6-18-3-1-2-14-5-7(9(16)17)4-8(14)15/h7H,1-6H2,(H,16,17)
InChIKeyHKPBGDKEGRBKHP-UHFFFAOYSA-N
XLogP0.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid (CID 83192025) is 5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(CCCOCC(F)(F)F)C1.
What is the InChIKey of 5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid?
The InChIKey is HKPBGDKEGRBKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c11-10(12,13)6-18-3-1-2-14-5-7(9(16)17)4-8(14)15/h7H,1-6H2,(H,16,17).
What are the key properties of 5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid has a molecular weight of 269.22 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83192025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).