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

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

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Related Compounds

Dfpta
CID 118898844
(2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 2012635
3-(3-Fluorophenyl)-3-{(5-oxo-1-(3-{(benzylamino)carbonylamino}phenyl)pyrrolidin-3-yl)carbonylamino}propanoic acid
CID 22591754
3-(4-{[(3-Fluorophenyl)methyl]amino}phenyl)propanoic acid
CID 24825497
(S)-2-{[4-(4-Fluoro-phenyl)-piperazine-1-carbonyl]-amino}-3-phenyl-propionic acid
CID 2001962
(S)-3-({(R)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-pyrrolidine-3-carbonyl}-amino)-3-(3-fluoro-phenyl)-propionic acid
CID 44330039
(R)-3-({(R)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-pyrrolidine-3-carbonyl}-amino)-3-(3-fluoro-phenyl)-propionic acid
CID 44330200
4-[(1-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-pyrrolidine-2-carbonyl)-amino]-butyric acid
CID 44392261
6-[(1-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-pyrrolidine-2-carbonyl)-amino]-hexanoic acid
CID 44392270
4-{[(1-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-pyrrolidine-2-carbonyl)-amino]-methyl}-cyclohexanecarboxylic acid
CID 44392280
5-[(1-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-pyrrolidine-2-carbonyl)-amino]-pentanoic acid
CID 44392356
(2S)-3-phenyl-2-[({[4-(trifluoromethyl)phenyl]amino}carbonyl) amino]propanoic acid
CID 22161394

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).