3-fluoropyrrolidine-1-carboxylic acid

C5H8FNO2 — CID 21071719

IUPAC3-fluoropyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)C1
InChIInChI=1S/C5H8FNO2/c6-4-1-2-7(3-4)5(8)9/h4H,1-3H2,(H,8,9)
InChIKeyYCWSUIJJEJMNJP-UHFFFAOYSA-N
MW133.12 g/mol
LogP0.71
Rot. Bonds

About 3-fluoropyrrolidine-1-carboxylic acid

3-fluoropyrrolidine-1-carboxylic acid (PubChem CID 21071719) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 3-fluoropyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoropyrrolidine-1-carboxylic acid
PubChem CID21071719
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name3-fluoropyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)C1
InChIInChI=1S/C5H8FNO2/c6-4-1-2-7(3-4)5(8)9/h4H,1-3H2,(H,8,9)
InChIKeyYCWSUIJJEJMNJP-UHFFFAOYSA-N
XLogP0.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoropyrrolidine-1-carbonyl chloride
CID 175546868
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
3-fluoro-4-methylpiperidine-1-carboxylic acid
CID 87324536
4-amino-3-fluoropiperidine-1-carboxylic acid
CID 66782220
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
3-fluoropyrrolidine-1-carbohydrazide
CID 155317183
3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68960717
3-fluoro-4-(methylamino)piperidine-1-carboxylic acid
CID 91177014
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129494766
1-(3-fluoropyrrolidin-1-yl)-2-(methylamino)ethanone
CID 121200892
(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid
CID 89158882
(3S)-3-cyanopyrrolidine-1-carboxylic acid
CID 69136165

Frequently Asked Questions

What is the IUPAC name of 3-fluoropyrrolidine-1-carboxylic acid?
The IUPAC name of 3-fluoropyrrolidine-1-carboxylic acid (CID 21071719) is 3-fluoropyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-fluoropyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-fluoropyrrolidine-1-carboxylic acid is O=C(O)N1CCC(F)C1.
What is the InChIKey of 3-fluoropyrrolidine-1-carboxylic acid?
The InChIKey is YCWSUIJJEJMNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-4-1-2-7(3-4)5(8)9/h4H,1-3H2,(H,8,9).
What are the key properties of 3-fluoropyrrolidine-1-carboxylic acid?
3-fluoropyrrolidine-1-carboxylic acid has a molecular weight of 133.12 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrrolidine-1-carboxylic acid is sourced from PubChem (CID 21071719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).