3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid

C19H20FNO3 — CID 119114018

IUPAC3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid
SMILESCC(CC(=O)NC(CC(=O)O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C19H20FNO3/c1-13(15-9-5-6-10-16(15)20)11-18(22)21-17(12-19(23)24)14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyCYOSSQMUNHQFQS-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.65
Rot. Bonds7

About 3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid

3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid (PubChem CID 119114018) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid
PubChem CID119114018
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid
SMILESCC(CC(=O)NC(CC(=O)O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C19H20FNO3/c1-13(15-9-5-6-10-16(15)20)11-18(22)21-17(12-19(23)24)14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyCYOSSQMUNHQFQS-UHFFFAOYSA-N
XLogP3.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2-fluorophenyl)butanoylamino]propanoic acid
CID 119225742
2-[3-(2-fluorophenyl)butanoylamino]acetic acid
CID 119171648
N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide
CID 120505857
3-[3-(2-fluorophenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461619
3-(3-phenylbutanoylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 4042816
3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 42959553
3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61159316
N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
CID 119499708
2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 110001804
4-[3-(3-fluorophenyl)butanoylamino]-4-phenylbutanoic acid
CID 119200963
N-(3-amino-2-methylpropyl)-3-(2-fluorophenyl)butanamide
CID 119995472
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid?
The IUPAC name of 3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid (CID 119114018) is 3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid is CC(CC(=O)NC(CC(=O)O)c1ccccc1)c1ccccc1F.
What is the InChIKey of 3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid?
The InChIKey is CYOSSQMUNHQFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13(15-9-5-6-10-16(15)20)11-18(22)21-17(12-19(23)24)14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid?
3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid has a molecular weight of 329.37 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 119114018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).