3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid

C8H14FNO2 — CID 115014441

IUPAC3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C8H14FNO2/c1-6(2)10-4-3-8(9,5-10)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyFFQMNIRJNYTOOB-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.89
Rot. Bonds2

About 3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid

3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 115014441) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID115014441
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C8H14FNO2/c1-6(2)10-4-3-8(9,5-10)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyFFQMNIRJNYTOOB-UHFFFAOYSA-N
XLogP0.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4,4-difluoropiperidin-1-yl)propanoic acid
CID 129463029
3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 65419671
4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid
CID 63702401
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
CID 170740276
(3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 129470416
3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82713423
(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 83914161
methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 97184677
methyl 3-fluoro-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 169407977
3-fluoro-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529696
2-[3-(dimethylamino)-1-propan-2-ylpyrrolidin-3-yl]acetic acid
CID 64528744
ethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 170740072

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid (CID 115014441) is 3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is FFQMNIRJNYTOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-6(2)10-4-3-8(9,5-10)7(11)12/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid?
3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 175.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115014441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).