2-fluoropyrrolidine-2-carboxylic acid

C5H8FNO2 — CID 68687263

IUPAC2-fluoropyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(F)CCCN1
InChIInChI=1S/C5H8FNO2/c6-5(4(8)9)2-1-3-7-5/h7H,1-3H2,(H,8,9)
InChIKeyPNTVJAVLOCULJP-UHFFFAOYSA-N
MW133.12 g/mol
LogP0.12
Rot. Bonds1

About 2-fluoropyrrolidine-2-carboxylic acid

2-fluoropyrrolidine-2-carboxylic acid (PubChem CID 68687263) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 2-fluoropyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-fluoropyrrolidine-2-carboxylic acid
PubChem CID68687263
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name2-fluoropyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(F)CCCN1
InChIInChI=1S/C5H8FNO2/c6-5(4(8)9)2-1-3-7-5/h7H,1-3H2,(H,8,9)
InChIKeyPNTVJAVLOCULJP-UHFFFAOYSA-N
XLogP0.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-fluoropyrrolidine-2-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

(2S)-2-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 70246259
(2S)-2-formylpyrrolidine-2-carboxylic acid
CID 175746103
2-formylpyrrolidine-2-carboxylic acid
CID 139777637
2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
CID 115103385
2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid
CID 83080746
(2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid
CID 131000831
(2R)-2-piperidin-1-ylpyrrolidine-2-carboxylic acid
CID 122588259
(2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid
CID 67820831
2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid
CID 106454936
(2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid
CID 70061498
[1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate
CID 146500365
(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761830

Frequently Asked Questions

What is the IUPAC name of 2-fluoropyrrolidine-2-carboxylic acid?
The IUPAC name of 2-fluoropyrrolidine-2-carboxylic acid (CID 68687263) is 2-fluoropyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-fluoropyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-fluoropyrrolidine-2-carboxylic acid is O=C(O)C1(F)CCCN1.
What is the InChIKey of 2-fluoropyrrolidine-2-carboxylic acid?
The InChIKey is PNTVJAVLOCULJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-5(4(8)9)2-1-3-7-5/h7H,1-3H2,(H,8,9).
What are the key properties of 2-fluoropyrrolidine-2-carboxylic acid?
2-fluoropyrrolidine-2-carboxylic acid has a molecular weight of 133.12 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropyrrolidine-2-carboxylic acid is sourced from PubChem (CID 68687263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).