4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

C6H10FNO3 — CID 67356485

IUPAC4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC(F)CC1CO
InChIInChI=1S/C6H10FNO3/c7-4-1-5(3-9)8(2-4)6(10)11/h4-5,9H,1-3H2,(H,10,11)
InChIKeyZXYSFQJPPWOZPK-UHFFFAOYSA-N
MW163.15 g/mol
LogP0.07
Rot. Bonds1

About 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 67356485) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID67356485
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Name4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC(F)CC1CO
InChIInChI=1S/C6H10FNO3/c7-4-1-5(3-9)8(2-4)6(10)11/h4-5,9H,1-3H2,(H,10,11)
InChIKeyZXYSFQJPPWOZPK-UHFFFAOYSA-N
XLogP0.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (CID 67356485) is 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CC(F)CC1CO.
What is the InChIKey of 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is ZXYSFQJPPWOZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO3/c7-4-1-5(3-9)8(2-4)6(10)11/h4-5,9H,1-3H2,(H,10,11).
What are the key properties of 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 163.15 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67356485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).