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

C11H20FNO3 — CID 162750789

IUPAC2-fluoro-3-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]propanoic acid
SMILESCC(C)N1CCC[C@H]1COCC(F)C(=O)O
InChIInChI=1S/C11H20FNO3/c1-8(2)13-5-3-4-9(13)6-16-7-10(12)11(14)15/h8-10H,3-7H2,1-2H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyVDFIJBNKHQOSHE-RGURZIINSA-N
MW233.28 g/mol
LogP1.30
Rot. Bonds6

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

2-fluoro-3-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]propanoic acid (PubChem CID 162750789) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-fluoro-3-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]propanoic acid.

Molecular Properties

Compound Name2-fluoro-3-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]propanoic acid
PubChem CID162750789
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name2-fluoro-3-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]propanoic acid
SMILESCC(C)N1CCC[C@H]1COCC(F)C(=O)O
InChIInChI=1S/C11H20FNO3/c1-8(2)13-5-3-4-9(13)6-16-7-10(12)11(14)15/h8-10H,3-7H2,1-2H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyVDFIJBNKHQOSHE-RGURZIINSA-N
XLogP1.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]propanoic acid?
The IUPAC name of 2-fluoro-3-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]propanoic acid (CID 162750789) is 2-fluoro-3-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]propanoic acid.
What is the SMILES notation for 2-fluoro-3-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]propanoic acid?
The canonical SMILES for 2-fluoro-3-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]propanoic acid is CC(C)N1CCC[C@H]1COCC(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]propanoic acid?
The InChIKey is VDFIJBNKHQOSHE-RGURZIINSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-8(2)13-5-3-4-9(13)6-16-7-10(12)11(14)15/h8-10H,3-7H2,1-2H3,(H,14,15)/t9-,10?/m0/s1.
What are the key properties of 2-fluoro-3-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]propanoic acid?
2-fluoro-3-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]propanoic acid has a molecular weight of 233.28 g/mol, XLogP of 1.30, 6 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-propan-2-ylpyrrolidin-2-yl]methoxy]propanoic acid is sourced from PubChem (CID 162750789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).