3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid

C18H18FNO3 — CID 75513395

IUPAC3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESCC(C(=O)O)C(NC(=O)Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H18FNO3/c1-12(18(22)23)17(13-7-3-2-4-8-13)20-16(21)11-14-9-5-6-10-15(14)19/h2-10,12,17H,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyUMCKBUBBVDEMFN-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.95
Rot. Bonds6

About 3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid

3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid (PubChem CID 75513395) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
PubChem CID75513395
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESCC(C(=O)O)C(NC(=O)Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H18FNO3/c1-12(18(22)23)17(13-7-3-2-4-8-13)20-16(21)11-14-9-5-6-10-15(14)19/h2-10,12,17H,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyUMCKBUBBVDEMFN-UHFFFAOYSA-N
XLogP2.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 84915033
(2R,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 99849385
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
2-methyl-3-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119218736
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441
2-methyl-3-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 86782511
(2R,3S)-2-methyl-3-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 99851556
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-phenylacetamide
CID 94514859
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
N-(2-amino-1-phenylethyl)-2-(2-fluorophenyl)acetamide
CID 63754506
2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid
CID 120686881

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid (CID 75513395) is 3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid is CC(C(=O)O)C(NC(=O)Cc1ccccc1F)c1ccccc1.
What is the InChIKey of 3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid?
The InChIKey is UMCKBUBBVDEMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-12(18(22)23)17(13-7-3-2-4-8-13)20-16(21)11-14-9-5-6-10-15(14)19/h2-10,12,17H,11H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid?
3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid has a molecular weight of 315.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 75513395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).