(2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid

C11H11FN2O3 — CID 71256287

IUPAC(2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](F)CN1C(=O)c1ccccn1
InChIInChI=1S/C11H11FN2O3/c12-7-5-9(11(16)17)14(6-7)10(15)8-3-1-2-4-13-8/h1-4,7,9H,5-6H2,(H,16,17)/t7-,9-/m1/s1
InChIKeyBMAVFHPIJQOVTM-VXNVDRBHSA-N
MW238.22 g/mol
LogP0.72
Rot. Bonds2

About (2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 71256287) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is (2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID71256287
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name(2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](F)CN1C(=O)c1ccccn1
InChIInChI=1S/C11H11FN2O3/c12-7-5-9(11(16)17)14(6-7)10(15)8-3-1-2-4-13-8/h1-4,7,9H,5-6H2,(H,16,17)/t7-,9-/m1/s1
InChIKeyBMAVFHPIJQOVTM-VXNVDRBHSA-N
XLogP0.72
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
(2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid
CID 151065309
[(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone
CID 118694898
methyl (2S,4S)-1-benzoyl-4-fluoropyrrolidine-2-carboxylate
CID 54485156
(2R,4R)-1-(5-fluoropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104638295
(2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 120965545
[3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone
CID 121184939
pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone
CID 82243120
(3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid
CID 122155565
1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone
CID 168983000
morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110198171
(2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61153107

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 71256287) is (2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](F)CN1C(=O)c1ccccn1.
What is the InChIKey of (2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BMAVFHPIJQOVTM-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-7-5-9(11(16)17)14(6-7)10(15)8-3-1-2-4-13-8/h1-4,7,9H,5-6H2,(H,16,17)/t7-,9-/m1/s1.
What are the key properties of (2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 238.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 71256287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).