3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid

C11H19FN2O2 — CID 115037780

IUPAC3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCN1CCC(N2CCC(F)(C(=O)O)C2)CC1
InChIInChI=1S/C11H19FN2O2/c1-13-5-2-9(3-6-13)14-7-4-11(12,8-14)10(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyYSLGBZPWRRVJHQ-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.58
Rot. Bonds2

About 3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 115037780) has the molecular formula C11H19FN2O2 and a molecular weight of 230.28 g/mol. Its IUPAC name is 3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID115037780
Molecular FormulaC11H19FN2O2
Molecular Weight230.28 g/mol
Exact Mass230.14
IUPAC Name3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCN1CCC(N2CCC(F)(C(=O)O)C2)CC1
InChIInChI=1S/C11H19FN2O2/c1-13-5-2-9(3-6-13)14-7-4-11(12,8-14)10(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyYSLGBZPWRRVJHQ-UHFFFAOYSA-N
XLogP0.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid (CID 115037780) is 3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid is CN1CCC(N2CCC(F)(C(=O)O)C2)CC1.
What is the InChIKey of 3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is YSLGBZPWRRVJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O2/c1-13-5-2-9(3-6-13)14-7-4-11(12,8-14)10(15)16/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 230.28 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115037780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).