(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid

C11H10FNO3 — CID 129366137

IUPAC(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1C[C@H](c2cccc(F)c2)[C@@H](C(=O)O)N1
InChIInChI=1S/C11H10FNO3/c12-7-3-1-2-6(4-7)8-5-9(14)13-10(8)11(15)16/h1-4,8,10H,5H2,(H,13,14)(H,15,16)/t8-,10+/m1/s1
InChIKeyZXEAUHDBHIWJKD-SCZZXKLOSA-N
MW223.20 g/mol
LogP0.88
Rot. Bonds2

About (2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid

(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 129366137) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is (2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID129366137
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1C[C@H](c2cccc(F)c2)[C@@H](C(=O)O)N1
InChIInChI=1S/C11H10FNO3/c12-7-3-1-2-6(4-7)8-5-9(14)13-10(8)11(15)16/h1-4,8,10H,5H2,(H,13,14)(H,15,16)/t8-,10+/m1/s1
InChIKeyZXEAUHDBHIWJKD-SCZZXKLOSA-N
XLogP0.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83642665
(2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366152
3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359926
3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 174402699
(2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 97001038
(2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid
CID 10979324
3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 72810364
3-(4-bromophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83665906
3-(3,5-dimethylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105360038
[2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid
CID 138684995
3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359834
(3R,4R)-4-(3-fluorophenyl)oxane-3-carboxylic acid
CID 178190203

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid (CID 129366137) is (2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid is O=C1C[C@H](c2cccc(F)c2)[C@@H](C(=O)O)N1.
What is the InChIKey of (2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is ZXEAUHDBHIWJKD-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-7-3-1-2-6(4-7)8-5-9(14)13-10(8)11(15)16/h1-4,8,10H,5H2,(H,13,14)(H,15,16)/t8-,10+/m1/s1.
What are the key properties of (2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 129366137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).