methyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate

C10H18FNO3 — CID 162750253

IUPACmethyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate
SMILESCOC(=O)C(F)COC[C@@H]1CCCN1C
InChIInChI=1S/C10H18FNO3/c1-12-5-3-4-8(12)6-15-7-9(11)10(13)14-2/h8-9H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyCPMZXXDXRYSOPU-IENPIDJESA-N
MW219.26 g/mol
LogP0.61
Rot. Bonds5

About methyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate

methyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate (PubChem CID 162750253) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is methyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate
PubChem CID162750253
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate
SMILESCOC(=O)C(F)COC[C@@H]1CCCN1C
InChIInChI=1S/C10H18FNO3/c1-12-5-3-4-8(12)6-15-7-9(11)10(13)14-2/h8-9H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyCPMZXXDXRYSOPU-IENPIDJESA-N
XLogP0.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate?
The IUPAC name of methyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate (CID 162750253) is methyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate.
What is the SMILES notation for methyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate?
The canonical SMILES for methyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate is COC(=O)C(F)COC[C@@H]1CCCN1C.
What is the InChIKey of methyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate?
The InChIKey is CPMZXXDXRYSOPU-IENPIDJESA-N. The full InChI is InChI=1S/C10H18FNO3/c1-12-5-3-4-8(12)6-15-7-9(11)10(13)14-2/h8-9H,3-7H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of methyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate?
methyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate has a molecular weight of 219.26 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoate is sourced from PubChem (CID 162750253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).