1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid

C7H12FNO3 — CID 114351489

IUPAC1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1CCF
InChIInChI=1S/C7H12FNO3/c8-1-2-9-4-5(10)3-6(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)
InChIKeyNPRRWAJJVSYVRE-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.52
Rot. Bonds3

About 1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114351489) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114351489
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1CCF
InChIInChI=1S/C7H12FNO3/c8-1-2-9-4-5(10)3-6(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)
InChIKeyNPRRWAJJVSYVRE-UHFFFAOYSA-N
XLogP-0.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-butyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67718958
4-hydroxy-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid
CID 114351642
1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351458
1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351292
1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426285
(2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 88652438
1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351672
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 114351436
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 118989202
1-(3-chloro-2-methylprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106439330

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 114351489) is 1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is NPRRWAJJVSYVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3/c8-1-2-9-4-5(10)3-6(9)7(11)12/h5-6,10H,1-4H2,(H,11,12).
What are the key properties of 1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 177.17 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).