2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid

C10H9F2NO3 — CID 68606169

IUPAC2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid
SMILESCC(N)(C(=O)O)C(=O)c1cccc(F)c1F
InChIInChI=1S/C10H9F2NO3/c1-10(13,9(15)16)8(14)5-3-2-4-6(11)7(5)12/h2-4H,13H2,1H3,(H,15,16)
InChIKeyUQADILXHGFAWMU-UHFFFAOYSA-N
MW229.18 g/mol
LogP0.95
Rot. Bonds3

About 2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid

2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid (PubChem CID 68606169) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is 2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid
PubChem CID68606169
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Name2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid
SMILESCC(N)(C(=O)O)C(=O)c1cccc(F)c1F
InChIInChI=1S/C10H9F2NO3/c1-10(13,9(15)16)8(14)5-3-2-4-6(11)7(5)12/h2-4H,13H2,1H3,(H,15,16)
InChIKeyUQADILXHGFAWMU-UHFFFAOYSA-N
XLogP0.95
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic 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-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one
CID 116558403
[1-(2,3-difluorophenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146010050
2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 68607874
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588
2,3-difluorobenzoyl bromide
CID 91168195
1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105101809
N-(3,3-dimethylbutyl)-2,3-difluorobenzamide
CID 115605194
ethyl 2,3-difluorobenzoate
CID 2761174
2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 116592956
2-amino-N-(2,3-difluorophenyl)-2-phenylpropanamide
CID 62488948
3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide
CID 64678372

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid?
The IUPAC name of 2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid (CID 68606169) is 2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid is CC(N)(C(=O)O)C(=O)c1cccc(F)c1F.
What is the InChIKey of 2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid?
The InChIKey is UQADILXHGFAWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3/c1-10(13,9(15)16)8(14)5-3-2-4-6(11)7(5)12/h2-4H,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid?
2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid has a molecular weight of 229.18 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 68606169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).