(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate

C15H18FNO4 — CID 9270451

IUPAC(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
SMILESCC(C)(C)C(=O)COC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C15H18FNO4/c1-15(2,3)12(18)9-21-13(19)8-17-14(20)10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyXGTPOYODDWKYBG-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.71
Rot. Bonds5

About (3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate

(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 9270451) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is (3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID9270451
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
SMILESCC(C)(C)C(=O)COC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C15H18FNO4/c1-15(2,3)12(18)9-21-13(19)8-17-14(20)10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyXGTPOYODDWKYBG-UHFFFAOYSA-N
XLogP1.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269914
phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82723711
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270254
hexadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422554
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546
(4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2601985
heptadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422555
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270039
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270269
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of (3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate (CID 9270451) is (3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for (3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for (3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate is CC(C)(C)C(=O)COC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of (3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is XGTPOYODDWKYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-15(2,3)12(18)9-21-13(19)8-17-14(20)10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,17,20).
What are the key properties of (3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate?
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 295.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 9270451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).