5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid

C8H10F3NO3 — CID 64566108

IUPAC5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1CCC(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)3-4-12-5(7(14)15)1-2-6(12)13/h5H,1-4H2,(H,14,15)
InChIKeySWGBHZPQINZWGV-UHFFFAOYSA-N
MW225.17 g/mol
LogP1.01
Rot. Bonds3

About 5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid

5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid (PubChem CID 64566108) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid
PubChem CID64566108
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1CCC(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)3-4-12-5(7(14)15)1-2-6(12)13/h5H,1-4H2,(H,14,15)
InChIKeySWGBHZPQINZWGV-UHFFFAOYSA-N
XLogP1.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 62874671
5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid
CID 104808350
1-heptyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002593
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid
CID 112590083
1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874003
1-(3-cyanopropyl)-5-oxopyrrolidine-2-carboxylic acid
CID 62873820
5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid
CID 106726403
(2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 90878993
1-(2-butylsulfanylethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 19370197
5-oxo-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 3016456

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid (CID 64566108) is 5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCC(=O)N1CCC(F)(F)F.
What is the InChIKey of 5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SWGBHZPQINZWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)3-4-12-5(7(14)15)1-2-6(12)13/h5H,1-4H2,(H,14,15).
What are the key properties of 5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid?
5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 225.17 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64566108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).