(2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid

C11H6F5NO3 — CID 10979324

IUPAC(2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C1C[C@H](c2c(F)c(F)c(F)c(F)c2F)[C@@H](C(=O)O)N1
InChIInChI=1S/C11H6F5NO3/c12-5-4(6(13)8(15)9(16)7(5)14)2-1-3(18)17-10(2)11(19)20/h2,10H,1H2,(H,17,18)(H,19,20)/t2-,10+/m1/s1
InChIKeyCVAJNCKPXCFTEU-LRQHDJKPSA-N
MW295.16 g/mol
LogP1.44
Rot. Bonds2

About (2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid

(2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid (PubChem CID 10979324) has the molecular formula C11H6F5NO3 and a molecular weight of 295.16 g/mol. Its IUPAC name is (2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid
PubChem CID10979324
Molecular FormulaC11H6F5NO3
Molecular Weight295.16 g/mol
Exact Mass295.03
IUPAC Name(2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C1C[C@H](c2c(F)c(F)c(F)c(F)c2F)[C@@H](C(=O)O)N1
InChIInChI=1S/C11H6F5NO3/c12-5-4(6(13)8(15)9(16)7(5)14)2-1-3(18)17-10(2)11(19)20/h2,10H,1H2,(H,17,18)(H,19,20)/t2-,10+/m1/s1
InChIKeyCVAJNCKPXCFTEU-LRQHDJKPSA-N
XLogP1.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid (CID 10979324) is (2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid is O=C1C[C@H](c2c(F)c(F)c(F)c(F)c2F)[C@@H](C(=O)O)N1.
What is the InChIKey of (2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CVAJNCKPXCFTEU-LRQHDJKPSA-N. The full InChI is InChI=1S/C11H6F5NO3/c12-5-4(6(13)8(15)9(16)7(5)14)2-1-3(18)17-10(2)11(19)20/h2,10H,1H2,(H,17,18)(H,19,20)/t2-,10+/m1/s1.
What are the key properties of (2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid?
(2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 295.16 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10979324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).