2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid

C8H14FNO2S — CID 134533992

IUPAC2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid
SMILESCN1CC(F)CC1CSCC(=O)O
InChIInChI=1S/C8H14FNO2S/c1-10-3-6(9)2-7(10)4-13-5-8(11)12/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyFSOIRBZLKUESFD-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.85
Rot. Bonds4

About 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid

2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid (PubChem CID 134533992) has the molecular formula C8H14FNO2S and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid
PubChem CID134533992
Molecular FormulaC8H14FNO2S
Molecular Weight207.27 g/mol
Exact Mass207.07
IUPAC Name2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid
SMILESCN1CC(F)CC1CSCC(=O)O
InChIInChI=1S/C8H14FNO2S/c1-10-3-6(9)2-7(10)4-13-5-8(11)12/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyFSOIRBZLKUESFD-UHFFFAOYSA-N
XLogP0.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic 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 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid?
The IUPAC name of 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid (CID 134533992) is 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid?
The canonical SMILES for 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid is CN1CC(F)CC1CSCC(=O)O.
What is the InChIKey of 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid?
The InChIKey is FSOIRBZLKUESFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2S/c1-10-3-6(9)2-7(10)4-13-5-8(11)12/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid?
2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid has a molecular weight of 207.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methylsulfanyl]acetic acid is sourced from PubChem (CID 134533992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).