2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid

C13H16FNO2 — CID 83842479

IUPAC2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid
SMILESCc1cc(C2NCCC2CC(=O)O)ccc1F
InChIInChI=1S/C13H16FNO2/c1-8-6-9(2-3-11(8)14)13-10(4-5-15-13)7-12(16)17/h2-3,6,10,13,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyZSYLAYWNHQFKPZ-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.26
Rot. Bonds3

About 2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid

2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid (PubChem CID 83842479) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid
PubChem CID83842479
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid
SMILESCc1cc(C2NCCC2CC(=O)O)ccc1F
InChIInChI=1S/C13H16FNO2/c1-8-6-9(2-3-11(8)14)13-10(4-5-15-13)7-12(16)17/h2-3,6,10,13,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyZSYLAYWNHQFKPZ-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid (CID 83842479) is 2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid is Cc1cc(C2NCCC2CC(=O)O)ccc1F.
What is the InChIKey of 2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is ZSYLAYWNHQFKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8-6-9(2-3-11(8)14)13-10(4-5-15-13)7-12(16)17/h2-3,6,10,13,15H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid?
2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 237.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 83842479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).