2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid

C11H12F2N2O3 — CID 62627122

IUPAC2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O3/c1-6(10(16)17)15(2)11(18)14-9-4-3-7(12)5-8(9)13/h3-6H,1-2H3,(H,14,18)(H,16,17)
InChIKeyFIXWSSSOJFWDAA-UHFFFAOYSA-N
MW258.22 g/mol
LogP1.90
Rot. Bonds3

About 2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid

2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid (PubChem CID 62627122) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid
PubChem CID62627122
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Name2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O3/c1-6(10(16)17)15(2)11(18)14-9-4-3-7(12)5-8(9)13/h3-6H,1-2H3,(H,14,18)(H,16,17)
InChIKeyFIXWSSSOJFWDAA-UHFFFAOYSA-N
XLogP1.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2,4-difluorophenyl)carbamoyl-methylamino]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

2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]propanoic acid
CID 62639550
2-[(2-fluoro-4-nitrophenyl)carbamoyl-methylamino]propanoic acid
CID 62637397
2-[(2-bromo-4,6-difluorophenyl)carbamoyl-methylamino]propanoic acid
CID 55097025
2-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 62637544
1-(4-amino-4-hydroxyiminobutan-2-yl)-3-(2,4-difluorophenyl)-1-methylurea
CID 76987456
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
1-(3-amino-2-methylpropyl)-3-(2,4-difluorophenyl)-1-methylurea
CID 54992200
4-(2,4-difluoroanilino)-2-methyl-4-oxobutanoic acid
CID 115164947
2-[(2-cyano-3-fluorophenyl)carbamoyl-methylamino]propanoic acid
CID 62639026
2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid
CID 62637000
1-(4-aminophenyl)-3-(2,4-difluorophenyl)-1-methylurea
CID 43288470
3-(2,4-difluorophenyl)-1-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)urea
CID 60501770

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid?
The IUPAC name of 2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid (CID 62627122) is 2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid?
The InChIKey is FIXWSSSOJFWDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-6(10(16)17)15(2)11(18)14-9-4-3-7(12)5-8(9)13/h3-6H,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid?
2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid has a molecular weight of 258.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 62627122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).