(2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid

C6H6F3NO3 — CID 11106294

IUPAC(2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](C(F)(F)F)C(=O)N1
InChIInChI=1S/C6H6F3NO3/c7-6(8,9)2-1-3(5(12)13)10-4(2)11/h2-3H,1H2,(H,10,11)(H,12,13)/t2-,3-/m0/s1
InChIKeyHIHWPMLRFOIGRG-HRFVKAFMSA-N
MW197.11 g/mol
LogP0.14
Rot. Bonds1

About (2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid

(2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid (PubChem CID 11106294) has the molecular formula C6H6F3NO3 and a molecular weight of 197.11 g/mol. Its IUPAC name is (2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
PubChem CID11106294
Molecular FormulaC6H6F3NO3
Molecular Weight197.11 g/mol
Exact Mass197.03
IUPAC Name(2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](C(F)(F)F)C(=O)N1
InChIInChI=1S/C6H6F3NO3/c7-6(8,9)2-1-3(5(12)13)10-4(2)11/h2-3H,1H2,(H,10,11)(H,12,13)/t2-,3-/m0/s1
InChIKeyHIHWPMLRFOIGRG-HRFVKAFMSA-N
XLogP0.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid (CID 11106294) is (2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](C(F)(F)F)C(=O)N1.
What is the InChIKey of (2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HIHWPMLRFOIGRG-HRFVKAFMSA-N. The full InChI is InChI=1S/C6H6F3NO3/c7-6(8,9)2-1-3(5(12)13)10-4(2)11/h2-3H,1H2,(H,10,11)(H,12,13)/t2-,3-/m0/s1.
What are the key properties of (2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 197.11 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11106294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).