3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid

C18H19FN2O3 — CID 155171058

IUPAC3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid
SMILESCN[C@H](C(=O)NC(Cc1ccc(F)cc1)C(=O)O)c1ccccc1
InChIInChI=1S/C18H19FN2O3/c1-20-16(13-5-3-2-4-6-13)17(22)21-15(18(23)24)11-12-7-9-14(19)10-8-12/h2-10,15-16,20H,11H2,1H3,(H,21,22)(H,23,24)/t15?,16-/m0/s1
InChIKeyKFEHOWDOXFLUNF-LYKKTTPLSA-N
MW330.36 g/mol
LogP1.90
Rot. Bonds7

About 3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid

3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid (PubChem CID 155171058) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid
PubChem CID155171058
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid
SMILESCN[C@H](C(=O)NC(Cc1ccc(F)cc1)C(=O)O)c1ccccc1
InChIInChI=1S/C18H19FN2O3/c1-20-16(13-5-3-2-4-6-13)17(22)21-15(18(23)24)11-12-7-9-14(19)10-8-12/h2-10,15-16,20H,11H2,1H3,(H,21,22)(H,23,24)/t15?,16-/m0/s1
InChIKeyKFEHOWDOXFLUNF-LYKKTTPLSA-N
XLogP1.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]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

(2S)-2-[[(2S)-2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 175824879
(2S)-3-[4-(4-fluorophenyl)phenyl]-2-(methylamino)propanoic acid
CID 162376814
2-[(2-amino-3-methylbutanoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 155171197
(2R)-2-[[(3R)-2-amino-3-hydroxybutanoyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 155171165
(2R)-2-[(3-fluoro-2,2-dimethylpropanoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 175805985
2-[[3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 13488140
[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]azanium
CID 156619966
(2S)-2-[3-(4-fluorophenyl)butanoylamino]-3-phenylpropanoic acid
CID 119366490
(2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 119366986
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
(2S)-2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 99781231
2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid
CID 46842238

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid (CID 155171058) is 3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid is CN[C@H](C(=O)NC(Cc1ccc(F)cc1)C(=O)O)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid?
The InChIKey is KFEHOWDOXFLUNF-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-20-16(13-5-3-2-4-6-13)17(22)21-15(18(23)24)11-12-7-9-14(19)10-8-12/h2-10,15-16,20H,11H2,1H3,(H,21,22)(H,23,24)/t15?,16-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid?
3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid has a molecular weight of 330.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid is sourced from PubChem (CID 155171058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).