2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid

C9H16FNO3 — CID 174164491

IUPAC2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid
SMILESCN1CCC[C@H]1COCC(F)C(=O)O
InChIInChI=1S/C9H16FNO3/c1-11-4-2-3-7(11)5-14-6-8(10)9(12)13/h7-8H,2-6H2,1H3,(H,12,13)/t7-,8?/m0/s1
InChIKeyJJHPVPLGUXNPJN-JAMMHHFISA-N
MW205.23 g/mol
LogP0.52
Rot. Bonds5

About 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid

2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid (PubChem CID 174164491) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid.

Molecular Properties

Compound Name2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid
PubChem CID174164491
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid
SMILESCN1CCC[C@H]1COCC(F)C(=O)O
InChIInChI=1S/C9H16FNO3/c1-11-4-2-3-7(11)5-14-6-8(10)9(12)13/h7-8H,2-6H2,1H3,(H,12,13)/t7-,8?/m0/s1
InChIKeyJJHPVPLGUXNPJN-JAMMHHFISA-N
XLogP0.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic 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

3-[(1-methylpyrrolidin-2-yl)methoxy]propanoic acid
CID 83817688
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine
CID 168880743
3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
CID 170367402
ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 54091404
ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
CID 46242410
methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid
CID 89327718
N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 121001602
[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
CID 149141238
2-(1-methylpyrrolidin-2-yl)acetamide;hydrochloride
CID 67492380

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid?
The IUPAC name of 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid (CID 174164491) is 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid.
What is the SMILES notation for 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid?
The canonical SMILES for 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid is CN1CCC[C@H]1COCC(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid?
The InChIKey is JJHPVPLGUXNPJN-JAMMHHFISA-N. The full InChI is InChI=1S/C9H16FNO3/c1-11-4-2-3-7(11)5-14-6-8(10)9(12)13/h7-8H,2-6H2,1H3,(H,12,13)/t7-,8?/m0/s1.
What are the key properties of 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid?
2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid has a molecular weight of 205.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid is sourced from PubChem (CID 174164491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).