(1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate

C13H14FNO4 — CID 3466820

IUPAC(1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCC(OC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C13H14FNO4/c1-8(13(15)18)19-12(17)7-6-11(16)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H2,15,18)
InChIKeyYHIIDYRRWPUFFR-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.21
Rot. Bonds6

About (1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate

(1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 3466820) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID3466820
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name(1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCC(OC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C13H14FNO4/c1-8(13(15)18)19-12(17)7-6-11(16)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H2,15,18)
InChIKeyYHIIDYRRWPUFFR-UHFFFAOYSA-N
XLogP1.21
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate with MolForge

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 9128552
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764352
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877831
propyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 54941734
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7042925
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764297
[1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 46618622
2-methoxyethyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78830805
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764174
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764294
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7967628
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7951655

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate (CID 3466820) is (1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate is CC(OC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is YHIIDYRRWPUFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-8(13(15)18)19-12(17)7-6-11(16)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H2,15,18).
What are the key properties of (1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate?
(1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 267.26 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 3466820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).