3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid

C19H20FN3O3 — CID 22098241

IUPAC3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid
SMILESNCc1ccc(N2CCN(c3ccc(CCC(=O)O)cc3)C2=O)cc1F
InChIInChI=1S/C19H20FN3O3/c20-17-11-16(7-4-14(17)12-21)23-10-9-22(19(23)26)15-5-1-13(2-6-15)3-8-18(24)25/h1-2,4-7,11H,3,8-10,12,21H2,(H,24,25)
InChIKeyDMFWYVCKJBZRMU-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.75
Rot. Bonds6

About 3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid

3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid (PubChem CID 22098241) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid
PubChem CID22098241
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid
SMILESNCc1ccc(N2CCN(c3ccc(CCC(=O)O)cc3)C2=O)cc1F
InChIInChI=1S/C19H20FN3O3/c20-17-11-16(7-4-14(17)12-21)23-10-9-22(19(23)26)15-5-1-13(2-6-15)3-8-18(24)25/h1-2,4-7,11H,3,8-10,12,21H2,(H,24,25)
InChIKeyDMFWYVCKJBZRMU-UHFFFAOYSA-N
XLogP2.75
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid (CID 22098241) is 3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid is NCc1ccc(N2CCN(c3ccc(CCC(=O)O)cc3)C2=O)cc1F.
What is the InChIKey of 3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid?
The InChIKey is DMFWYVCKJBZRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-17-11-16(7-4-14(17)12-21)23-10-9-22(19(23)26)15-5-1-13(2-6-15)3-8-18(24)25/h1-2,4-7,11H,3,8-10,12,21H2,(H,24,25).
What are the key properties of 3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid?
3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid has a molecular weight of 357.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[4-(aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid is sourced from PubChem (CID 22098241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).