2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid

C14H19FN2O3 — CID 62822057

IUPAC2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-4-17(14(2,3)13(19)20)9-12(18)16-11-7-5-10(15)6-8-11/h5-8H,4,9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyLMDGMBXISANCJK-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.95
Rot. Bonds6

About 2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid

2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid (PubChem CID 62822057) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
PubChem CID62822057
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-4-17(14(2,3)13(19)20)9-12(18)16-11-7-5-10(15)6-8-11/h5-8H,4,9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyLMDGMBXISANCJK-UHFFFAOYSA-N
XLogP1.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide
CID 62008565
2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid
CID 62820463
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62820100
2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 62822506
2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 60832948
4-(4-fluoroanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43397089
2-[(2,5-difluorophenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 62821130
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide
CID 17430347
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid (CID 62822057) is 2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid is CCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The InChIKey is LMDGMBXISANCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-4-17(14(2,3)13(19)20)9-12(18)16-11-7-5-10(15)6-8-11/h5-8H,4,9H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid has a molecular weight of 282.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62822057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).