(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid

C11H11FN2O3 — CID 124511893

IUPAC(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(C(=O)c2ccncc2F)C1
InChIInChI=1S/C11H11FN2O3/c12-9-5-13-3-1-8(9)10(15)14-4-2-7(6-14)11(16)17/h1,3,5,7H,2,4,6H2,(H,16,17)/t7-/m0/s1
InChIKeyYLHOIEZPUQPUBI-ZETCQYMHSA-N
MW238.22 g/mol
LogP0.77
Rot. Bonds2

About (3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid

(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 124511893) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is (3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID124511893
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(C(=O)c2ccncc2F)C1
InChIInChI=1S/C11H11FN2O3/c12-9-5-13-3-1-8(9)10(15)14-4-2-7(6-14)11(16)17/h1,3,5,7H,2,4,6H2,(H,16,17)/t7-/m0/s1
InChIKeyYLHOIEZPUQPUBI-ZETCQYMHSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
[3-(chloromethyl)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64956102
(3-fluoro-4-pyridinyl)-[(1S,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 124854532
1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 115646226
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 114801323
[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 115661606
(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81118358

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 124511893) is (3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CCN(C(=O)c2ccncc2F)C1.
What is the InChIKey of (3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YLHOIEZPUQPUBI-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-9-5-13-3-1-8(9)10(15)14-4-2-7(6-14)11(16)17/h1,3,5,7H,2,4,6H2,(H,16,17)/t7-/m0/s1.
What are the key properties of (3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid?
(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 238.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124511893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).