4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid

C11H19FN2O3 — CID 146279155

IUPAC4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2C[C@H](F)C[C@@H]2CO)CC1
InChIInChI=1S/C11H19FN2O3/c12-8-5-10(7-15)14(6-8)9-1-3-13(4-2-9)11(16)17/h8-10,15H,1-7H2,(H,16,17)/t8-,10-/m1/s1
InChIKeyJZCBVZUONJDYPA-PSASIEDQSA-N
MW246.28 g/mol
LogP0.53
Rot. Bonds2

About 4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid

4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid (PubChem CID 146279155) has the molecular formula C11H19FN2O3 and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid
PubChem CID146279155
Molecular FormulaC11H19FN2O3
Molecular Weight246.28 g/mol
Exact Mass246.14
IUPAC Name4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2C[C@H](F)C[C@@H]2CO)CC1
InChIInChI=1S/C11H19FN2O3/c12-8-5-10(7-15)14(6-8)9-1-3-13(4-2-9)11(16)17/h8-10,15H,1-7H2,(H,16,17)/t8-,10-/m1/s1
InChIKeyJZCBVZUONJDYPA-PSASIEDQSA-N
XLogP0.53
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-tert-butyl-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-ium-1-carboxylate
CID 67123416
4-Fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 67356485
(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 69375155
3,4-Difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 90020538
(2S,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 90307480
(2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 90464998
4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid
CID 118294956
[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
CID 118303277
Ethyl 4-[4-[4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]azepane-1-carboxylate
CID 123757314
[4-Fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
CID 123863252
[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
CID 124192524
ethyl 4-[4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]piperidine-1-carboxylate
CID 126555488

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid (CID 146279155) is 4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(N2C[C@H](F)C[C@@H]2CO)CC1.
What is the InChIKey of 4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid?
The InChIKey is JZCBVZUONJDYPA-PSASIEDQSA-N. The full InChI is InChI=1S/C11H19FN2O3/c12-8-5-10(7-15)14(6-8)9-1-3-13(4-2-9)11(16)17/h8-10,15H,1-7H2,(H,16,17)/t8-,10-/m1/s1.
What are the key properties of 4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid?
4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid has a molecular weight of 246.28 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 146279155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).