2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid

C8H14FNO2 — CID 115014450

IUPAC2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC(C)(F)C1
InChIInChI=1S/C8H14FNO2/c1-6(7(11)12)10-4-3-8(2,9)5-10/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyVNPWOFUGTVAYBV-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.89
Rot. Bonds2

About 2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid

2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid (PubChem CID 115014450) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid
PubChem CID115014450
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC(C)(F)C1
InChIInChI=1S/C8H14FNO2/c1-6(7(11)12)10-4-3-8(2,9)5-10/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyVNPWOFUGTVAYBV-UHFFFAOYSA-N
XLogP0.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid (CID 115014450) is 2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid is CC(C(=O)O)N1CCC(C)(F)C1.
What is the InChIKey of 2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid?
The InChIKey is VNPWOFUGTVAYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-6(7(11)12)10-4-3-8(2,9)5-10/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid?
2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid has a molecular weight of 175.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-3-methylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 115014450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).