3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid

C15H20FNO3 — CID 119228626

IUPAC3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)C(C)(C)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C15H20FNO3/c1-10(13(18)19)9-17(4)14(20)15(2,3)11-6-5-7-12(16)8-11/h5-8,10H,9H2,1-4H3,(H,18,19)
InChIKeyARCZRUNEOWDWMC-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.28
Rot. Bonds5

About 3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid

3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 119228626) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid
PubChem CID119228626
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)C(C)(C)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C15H20FNO3/c1-10(13(18)19)9-17(4)14(20)15(2,3)11-6-5-7-12(16)8-11/h5-8,10H,9H2,1-4H3,(H,18,19)
InChIKeyARCZRUNEOWDWMC-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic 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-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid
CID 119228005
3-[[2-(4-ethylphenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid
CID 120687231
3-[[2-(2-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid
CID 119228737
3-[[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]-methylamino]-2-methylpropanoic acid
CID 122111701
3-[(3-fluorophenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 55007271
5-[[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222564
N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide
CID 54990418
1-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236282
3-[3-fluoro-N-(2-methylpropyl)anilino]-2-methylpropanoic acid
CID 82319342
3-[(2,4-difluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008235
(2R)-3-[[2-(2,4-difluorophenyl)acetyl]-methylamino]-2-methylpropanoic acid
CID 124517356
2-methyl-3-[methyl-[3-[3-(trifluoromethyl)phenyl]butanoyl]amino]propanoic acid
CID 119228621

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid (CID 119228626) is 3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)C(C)(C)c1cccc(F)c1)C(=O)O.
What is the InChIKey of 3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is ARCZRUNEOWDWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-10(13(18)19)9-17(4)14(20)15(2,3)11-6-5-7-12(16)8-11/h5-8,10H,9H2,1-4H3,(H,18,19).
What are the key properties of 3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid?
3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119228626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).