2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid

C19H18FNO3 — CID 166541672

IUPAC2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1C(c2ccccc2)CC(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C19H18FNO3/c20-15-8-4-5-13(9-15)12-21-17(11-19(23)24)16(10-18(21)22)14-6-2-1-3-7-14/h1-9,16-17H,10-12H2,(H,23,24)
InChIKeyRCYBUBVCQUZHDT-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.19
Rot. Bonds5

About 2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid

2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid (PubChem CID 166541672) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid
PubChem CID166541672
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1C(c2ccccc2)CC(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C19H18FNO3/c20-15-8-4-5-13(9-15)12-21-17(11-19(23)24)16(10-18(21)22)14-6-2-1-3-7-14/h1-9,16-17H,10-12H2,(H,23,24)
InChIKeyRCYBUBVCQUZHDT-UHFFFAOYSA-N
XLogP3.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid (CID 166541672) is 2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid is O=C(O)CC1C(c2ccccc2)CC(=O)N1Cc1cccc(F)c1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid?
The InChIKey is RCYBUBVCQUZHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-15-8-4-5-13(9-15)12-21-17(11-19(23)24)16(10-18(21)22)14-6-2-1-3-7-14/h1-9,16-17H,10-12H2,(H,23,24).
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid?
2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid has a molecular weight of 327.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]-5-oxo-3-phenylpyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 166541672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).