2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid

C11H11F2NO3 — CID 62627432

IUPAC2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1c(F)cccc1F
InChIInChI=1S/C11H11F2NO3/c1-6(11(16)17)14(2)10(15)9-7(12)4-3-5-8(9)13/h3-6H,1-2H3,(H,16,17)
InChIKeyAHRQSGWEIJXIDE-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.51
Rot. Bonds3

About 2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid

2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid (PubChem CID 62627432) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid
PubChem CID62627432
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1c(F)cccc1F
InChIInChI=1S/C11H11F2NO3/c1-6(11(16)17)14(2)10(15)9-7(12)4-3-5-8(9)13/h3-6H,1-2H3,(H,16,17)
InChIKeyAHRQSGWEIJXIDE-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluoro-2-methylbenzoyl)-methylamino]propanoic acid
CID 122107523
2-[(2,6-dimethoxybenzoyl)-methylamino]propanoic acid
CID 55098642
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567
2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 104917662
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,6-difluoro-N-methylbenzamide
CID 63223093
2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325
2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
CID 68936278
2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 62638125
2-[(2-chlorobenzoyl)-methylamino]propanoic acid
CID 62626876
2-[(2-chloro-4,5-difluorobenzoyl)-methylamino]propanoic acid
CID 62626388
2-[(4-acetylbenzoyl)-methylamino]propanoic acid
CID 119208794
2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid
CID 103804135

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid (CID 62627432) is 2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid?
The InChIKey is AHRQSGWEIJXIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-6(11(16)17)14(2)10(15)9-7(12)4-3-5-8(9)13/h3-6H,1-2H3,(H,16,17).
What are the key properties of 2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid?
2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid has a molecular weight of 243.21 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid is sourced from PubChem (CID 62627432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).