2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid

C14H18FNO2 — CID 119136186

IUPAC2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid
SMILESCC1CC(c2ccc(F)cc2)CN1C(C)C(=O)O
InChIInChI=1S/C14H18FNO2/c1-9-7-12(8-16(9)10(2)14(17)18)11-3-5-13(15)6-4-11/h3-6,9-10,12H,7-8H2,1-2H3,(H,17,18)
InChIKeyUQHPGOXWHCUUOQ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.48
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid

2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid (PubChem CID 119136186) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid
PubChem CID119136186
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid
SMILESCC1CC(c2ccc(F)cc2)CN1C(C)C(=O)O
InChIInChI=1S/C14H18FNO2/c1-9-7-12(8-16(9)10(2)14(17)18)11-3-5-13(15)6-4-11/h3-6,9-10,12H,7-8H2,1-2H3,(H,17,18)
InChIKeyUQHPGOXWHCUUOQ-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid (CID 119136186) is 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid is CC1CC(c2ccc(F)cc2)CN1C(C)C(=O)O.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid?
The InChIKey is UQHPGOXWHCUUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-7-12(8-16(9)10(2)14(17)18)11-3-5-13(15)6-4-11/h3-6,9-10,12H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid?
2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid has a molecular weight of 251.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 119136186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).