4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid

C10H18FNO3 — CID 18446397

IUPAC4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(F)CC(C(=O)O)N(CCO)C1
InChIInChI=1S/C10H18FNO3/c1-2-3-10(11)6-8(9(14)15)12(7-10)4-5-13/h8,13H,2-7H2,1H3,(H,14,15)
InChIKeyJBJQSHTWWODLSA-UHFFFAOYSA-N
MW219.26 g/mol
LogP0.65
Rot. Bonds5

About 4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid

4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid (PubChem CID 18446397) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid
PubChem CID18446397
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Name4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(F)CC(C(=O)O)N(CCO)C1
InChIInChI=1S/C10H18FNO3/c1-2-3-10(11)6-8(9(14)15)12(7-10)4-5-13/h8,13H,2-7H2,1H3,(H,14,15)
InChIKeyJBJQSHTWWODLSA-UHFFFAOYSA-N
XLogP0.65
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid (CID 18446397) is 4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid is CCCC1(F)CC(C(=O)O)N(CCO)C1.
What is the InChIKey of 4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid?
The InChIKey is JBJQSHTWWODLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-2-3-10(11)6-8(9(14)15)12(7-10)4-5-13/h8,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid?
4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid has a molecular weight of 219.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 18446397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).