(2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid

C19H20FNO5S — CID 119366986

IUPAC(2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid
SMILESCC(CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H20FNO5S/c1-13(12-27(25,26)16-9-7-15(20)8-10-16)18(22)21-17(19(23)24)11-14-5-3-2-4-6-14/h2-10,13,17H,11-12H2,1H3,(H,21,22)(H,23,24)/t13?,17-/m1/s1
InChIKeySTKAQMGBLKNJNW-LRHAYUFXSA-N
MW393.44 g/mol
LogP2.05
Rot. Bonds8

About (2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid

(2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid (PubChem CID 119366986) has the molecular formula C19H20FNO5S and a molecular weight of 393.44 g/mol. Its IUPAC name is (2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid
PubChem CID119366986
Molecular FormulaC19H20FNO5S
Molecular Weight393.44 g/mol
Exact Mass393.10
IUPAC Name(2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid
SMILESCC(CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H20FNO5S/c1-13(12-27(25,26)16-9-7-15(20)8-10-16)18(22)21-17(19(23)24)11-14-5-3-2-4-6-14/h2-10,13,17H,11-12H2,1H3,(H,21,22)(H,23,24)/t13?,17-/m1/s1
InChIKeySTKAQMGBLKNJNW-LRHAYUFXSA-N
XLogP2.05
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-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

(2S)-3-(4-fluorophenyl)sulfonyl-2-methylpropanoic acid
CID 28753239
[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]azanium
CID 156619966
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
(2S)-2-[(2-methyl-3-sulfanylpropanoyl)amino]-3-phenylpropanoic acid
CID 22859218
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103
(2S)-2-[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]-3-phenylpropanoic acid
CID 119366770
(2S)-2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
CID 13265658
2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
2-[(2-amino-3-methylbutanoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 155171197
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
CID 28540532
3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid
CID 155171058

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid (CID 119366986) is (2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid is CC(CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid?
The InChIKey is STKAQMGBLKNJNW-LRHAYUFXSA-N. The full InChI is InChI=1S/C19H20FNO5S/c1-13(12-27(25,26)16-9-7-15(20)8-10-16)18(22)21-17(19(23)24)11-14-5-3-2-4-6-14/h2-10,13,17H,11-12H2,1H3,(H,21,22)(H,23,24)/t13?,17-/m1/s1.
What are the key properties of (2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid has a molecular weight of 393.44 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119366986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).