2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid

C14H19FN2O3 — CID 60832948

IUPAC2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c1-3-10(2)17(9-14(19)20)8-13(18)16-12-6-4-11(15)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyGIKOBPHSQODRLQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.95
Rot. Bonds7

About 2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid

2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 60832948) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid
PubChem CID60832948
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c1-3-10(2)17(9-14(19)20)8-13(18)16-12-6-4-11(15)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyGIKOBPHSQODRLQ-UHFFFAOYSA-N
XLogP1.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
CID 60833576
2-[butan-2-yl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60834710
2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide
CID 17430347
2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid
CID 60828601
2-[butan-2-yl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 60834067
N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42883674
2-[[2-(3-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838270
5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 2732332
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838290
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid (CID 60832948) is 2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid is CCC(C)N(CC(=O)O)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is GIKOBPHSQODRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-3-10(2)17(9-14(19)20)8-13(18)16-12-6-4-11(15)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid?
2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 282.31 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 60832948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).