3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride

C14H19ClFNO2 — CID 167978691

IUPAC3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride
SMILESCC1CC(c2ccccc2F)N(CCC(=O)O)C1.Cl
InChIInChI=1S/C14H18FNO2.ClH/c1-10-8-13(11-4-2-3-5-12(11)15)16(9-10)7-6-14(17)18;/h2-5,10,13H,6-9H2,1H3,(H,17,18);1H
InChIKeyLWMBOHWYBRUAAA-UHFFFAOYSA-N
MW287.76 g/mol
LogP3.11
Rot. Bonds4

About 3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride

3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride (PubChem CID 167978691) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride
PubChem CID167978691
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride
SMILESCC1CC(c2ccccc2F)N(CCC(=O)O)C1.Cl
InChIInChI=1S/C14H18FNO2.ClH/c1-10-8-13(11-4-2-3-5-12(11)15)16(9-10)7-6-14(17)18;/h2-5,10,13H,6-9H2,1H3,(H,17,18);1H
InChIKeyLWMBOHWYBRUAAA-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride (CID 167978691) is 3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride is CC1CC(c2ccccc2F)N(CCC(=O)O)C1.Cl.
What is the InChIKey of 3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride?
The InChIKey is LWMBOHWYBRUAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2.ClH/c1-10-8-13(11-4-2-3-5-12(11)15)16(9-10)7-6-14(17)18;/h2-5,10,13H,6-9H2,1H3,(H,17,18);1H.
What are the key properties of 3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride?
3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride has a molecular weight of 287.76 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 167978691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).