3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid

C17H16FNO3S — CID 142934151

IUPAC3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid
SMILESO=C(CSc1ccccc1)NC(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C17H16FNO3S/c18-13-6-4-5-12(9-13)10-15(17(21)22)19-16(20)11-23-14-7-2-1-3-8-14/h1-9,15H,10-11H2,(H,19,20)(H,21,22)
InChIKeySEEZKFAQGGGBDE-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.73
Rot. Bonds7

About 3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid

3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid (PubChem CID 142934151) has the molecular formula C17H16FNO3S and a molecular weight of 333.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid
PubChem CID142934151
Molecular FormulaC17H16FNO3S
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC Name3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid
SMILESO=C(CSc1ccccc1)NC(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C17H16FNO3S/c18-13-6-4-5-12(9-13)10-15(17(21)22)19-16(20)11-23-14-7-2-1-3-8-14/h1-9,15H,10-11H2,(H,19,20)(H,21,22)
InChIKeySEEZKFAQGGGBDE-UHFFFAOYSA-N
XLogP2.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic 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

N-Formyl-L-methionyl-L-leucyl-L-phenylalanine
CID 443295
Phenylacetyl-L-phenylalanine
CID 47579
Methionylphenylalanine
CID 100048
Fpl 67047XX
CID 127885
3-(4-Tert-butylphenyl)-3-{[(phenylthio)acetyl]amino}propanoic acid
CID 3985968
L-methionyl-L-phenylalanine
CID 6992350
(S)-3-Biphenyl-4-yl-2-((R)-2-mercapto-3-phenyl-propionylamino)-propionic acid
CID 44377139
(2S)-3-(4-phenylphenyl)-2-[[(2S)-2-sulfanylbutanoyl]amino]propanoic acid
CID 44455016
(2S)-3-[[1,1'-Biphenyl]-4-yl]-2-[(2S)-4-methyl-2-sulfanylpentanamido]propanoic acid
CID 44455430
N-(cyclohexylcarbonyl)phenylalanine
CID 2957649
(S)-4-Mercapto-2-[(S)-3-phenyl-2-(3-phenyl-propionylamino)-propionylamino]-butyric acid
CID 10319625
N-(3-Sulfanylpropanoyl)-L-phenylalanine
CID 13036944

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid?
The IUPAC name of 3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid (CID 142934151) is 3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid?
The canonical SMILES for 3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid is O=C(CSc1ccccc1)NC(Cc1cccc(F)c1)C(=O)O.
What is the InChIKey of 3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid?
The InChIKey is SEEZKFAQGGGBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3S/c18-13-6-4-5-12(9-13)10-15(17(21)22)19-16(20)11-23-14-7-2-1-3-8-14/h1-9,15H,10-11H2,(H,19,20)(H,21,22).
What are the key properties of 3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid?
3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid has a molecular weight of 333.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid is sourced from PubChem (CID 142934151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).