2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid

C11H13FN2O3 — CID 14802232

IUPAC2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H13FN2O3/c1-14(7-11(16)17)6-10(15)13-9-4-2-3-8(12)5-9/h2-5H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyHFJYNOGNAPGONT-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.78
Rot. Bonds5

About 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid

2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid (PubChem CID 14802232) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
PubChem CID14802232
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H13FN2O3/c1-14(7-11(16)17)6-10(15)13-9-4-2-3-8(12)5-9/h2-5H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyHFJYNOGNAPGONT-UHFFFAOYSA-N
XLogP0.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-[[2-(3-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838270
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide
CID 2465262
2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 9223796
2-[[2-(3-fluoroanilino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262697
N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9041614
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2658580
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]amino]acetamide
CID 18078875
2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 107440293

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid (CID 14802232) is 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid is CN(CC(=O)O)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is HFJYNOGNAPGONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-14(7-11(16)17)6-10(15)13-9-4-2-3-8(12)5-9/h2-5H,6-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid?
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 240.23 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 14802232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).