(2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

C13H14FNO5 — CID 63857293

IUPAC(2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C13H14FNO5/c14-8-1-3-10(4-2-8)20-7-12(17)15-6-9(16)5-11(15)13(18)19/h1-4,9,11,16H,5-7H2,(H,18,19)/t9-,11+/m1/s1
InChIKeyHUSJSJOWECVBJJ-KOLCDFICSA-N
MW283.25 g/mol
LogP0.25
Rot. Bonds4

About (2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 63857293) has the molecular formula C13H14FNO5 and a molecular weight of 283.25 g/mol. Its IUPAC name is (2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID63857293
Molecular FormulaC13H14FNO5
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name(2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C13H14FNO5/c14-8-1-3-10(4-2-8)20-7-12(17)15-6-9(16)5-11(15)13(18)19/h1-4,9,11,16H,5-7H2,(H,18,19)/t9-,11+/m1/s1
InChIKeyHUSJSJOWECVBJJ-KOLCDFICSA-N
XLogP0.25
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356850
4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
CID 43184306
1-[2-(3-chlorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356795
(2S)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 61153100
(2S,4R)-1-[3-(4-fluorophenyl)sulfanylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841630
(2S,4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 63855651
1-[2-(4-fluorophenoxy)acetyl]-5-oxopiperazine-2-carboxylic acid
CID 107433138
(2S)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153262
(2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000573
(2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid
CID 79000771
2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate
CID 95981556
(2S,4S)-1-[2-(2,4-dichlorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713514

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 63857293) is (2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)COc1ccc(F)cc1.
What is the InChIKey of (2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is HUSJSJOWECVBJJ-KOLCDFICSA-N. The full InChI is InChI=1S/C13H14FNO5/c14-8-1-3-10(4-2-8)20-7-12(17)15-6-9(16)5-11(15)13(18)19/h1-4,9,11,16H,5-7H2,(H,18,19)/t9-,11+/m1/s1.
What are the key properties of (2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63857293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).