[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate

C11H11BrFNO4 — CID 8525758

IUPAC[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
SMILESC[C@H](OC(=O)COc1ccc(F)cc1Br)C(N)=O
InChIInChI=1S/C11H11BrFNO4/c1-6(11(14)16)18-10(15)5-17-9-3-2-7(13)4-8(9)12/h2-4,6H,5H2,1H3,(H2,14,16)/t6-/m0/s1
InChIKeyZEZNOZAFWMPSOB-LURJTMIESA-N
MW320.11 g/mol
LogP1.38
Rot. Bonds5

About [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate

[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate (PubChem CID 8525758) has the molecular formula C11H11BrFNO4 and a molecular weight of 320.11 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
PubChem CID8525758
Molecular FormulaC11H11BrFNO4
Molecular Weight320.11 g/mol
Exact Mass318.99
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
SMILESC[C@H](OC(=O)COc1ccc(F)cc1Br)C(N)=O
InChIInChI=1S/C11H11BrFNO4/c1-6(11(14)16)18-10(15)5-17-9-3-2-7(13)4-8(9)12/h2-4,6H,5H2,1H3,(H2,14,16)/t6-/m0/s1
InChIKeyZEZNOZAFWMPSOB-LURJTMIESA-N
XLogP1.38
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 8525699
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525763
propyl 2-(2-bromo-4-fluorophenoxy)acetate
CID 78907900
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525751
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8737791
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8737806
methyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 60637998
[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525769
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854087
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide
CID 7997320
ethyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 61344943
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate (CID 8525758) is [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate is C[C@H](OC(=O)COc1ccc(F)cc1Br)C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate?
The InChIKey is ZEZNOZAFWMPSOB-LURJTMIESA-N. The full InChI is InChI=1S/C11H11BrFNO4/c1-6(11(14)16)18-10(15)5-17-9-3-2-7(13)4-8(9)12/h2-4,6H,5H2,1H3,(H2,14,16)/t6-/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate?
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate has a molecular weight of 320.11 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate is sourced from PubChem (CID 8525758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).