(2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid

C14H16FNO3 — CID 139202125

IUPAC(2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
SMILESCCCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H16FNO3/c1-2-7-16-12(17)8-11(14(18)19)13(16)9-3-5-10(15)6-4-9/h3-6,11,13H,2,7-8H2,1H3,(H,18,19)/t11-,13+/m1/s1
InChIKeyAUXZROFYZBXDEY-YPMHNXCESA-N
MW265.28 g/mol
LogP2.21
Rot. Bonds4

About (2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid

(2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid (PubChem CID 139202125) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is (2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
PubChem CID139202125
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name(2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
SMILESCCCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H16FNO3/c1-2-7-16-12(17)8-11(14(18)19)13(16)9-3-5-10(15)6-4-9/h3-6,11,13H,2,7-8H2,1H3,(H,18,19)/t11-,13+/m1/s1
InChIKeyAUXZROFYZBXDEY-YPMHNXCESA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-((4-Methylphenyl)methyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2742110
5-Oxo-1-(1-phenylethyl)-3-pyrrolidinecarboxylic acid
CID 616196
1-[2-(4-Fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 3159590
1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
CID 99024
1-(4-Fluorobenzyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2780702
3-Acetamido-3-(4-fluorophenyl)propanoic acid
CID 3121001
3-(2-Methylpropanoylamino)-3-phenylpropanoic acid
CID 4245294
1-Cyclohexyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 3745249
1-[2-(4-Methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 4121251
(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 723633
(3R)-5-oxo-1-((1R)-1-phenylethyl)pyrrolidine-3-carboxylic acid
CID 723634
1-(4-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2967277

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid (CID 139202125) is (2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid is CCCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
The InChIKey is AUXZROFYZBXDEY-YPMHNXCESA-N. The full InChI is InChI=1S/C14H16FNO3/c1-2-7-16-12(17)8-11(14(18)19)13(16)9-3-5-10(15)6-4-9/h3-6,11,13H,2,7-8H2,1H3,(H,18,19)/t11-,13+/m1/s1.
What are the key properties of (2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
(2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-fluorophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 139202125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).