methyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate

C9H16FNO3 — CID 162751162

IUPACmethyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate
SMILESCOC(=O)C(F)COC[C@@H]1CCCN1
InChIInChI=1S/C9H16FNO3/c1-13-9(12)8(10)6-14-5-7-3-2-4-11-7/h7-8,11H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyIWPOLIRTWHZODU-JAMMHHFISA-N
MW205.23 g/mol
LogP0.27
Rot. Bonds5

About methyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate

methyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate (PubChem CID 162751162) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is methyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate
PubChem CID162751162
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate
SMILESCOC(=O)C(F)COC[C@@H]1CCCN1
InChIInChI=1S/C9H16FNO3/c1-13-9(12)8(10)6-14-5-7-3-2-4-11-7/h7-8,11H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyIWPOLIRTWHZODU-JAMMHHFISA-N
XLogP0.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate 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 methyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate?
The IUPAC name of methyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate (CID 162751162) is methyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate.
What is the SMILES notation for methyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate?
The canonical SMILES for methyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate is COC(=O)C(F)COC[C@@H]1CCCN1.
What is the InChIKey of methyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate?
The InChIKey is IWPOLIRTWHZODU-JAMMHHFISA-N. The full InChI is InChI=1S/C9H16FNO3/c1-13-9(12)8(10)6-14-5-7-3-2-4-11-7/h7-8,11H,2-6H2,1H3/t7-,8?/m0/s1.
What are the key properties of methyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate?
methyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate has a molecular weight of 205.23 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]propanoate is sourced from PubChem (CID 162751162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).