[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate

C11H11BrClNO4 — CID 8525699

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(Cl)cc1Br)C(N)=O
InChIInChI=1S/C11H11BrClNO4/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-/m1/s1
InChIKeyUPBUENCMUYAWFT-ZCFIWIBFSA-N
MW336.57 g/mol
LogP1.90
Rot. Bonds5

About [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate

[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate (PubChem CID 8525699) has the molecular formula C11H11BrClNO4 and a molecular weight of 336.57 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate
PubChem CID8525699
Molecular FormulaC11H11BrClNO4
Molecular Weight336.57 g/mol
Exact Mass334.96
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(Cl)cc1Br)C(N)=O
InChIInChI=1S/C11H11BrClNO4/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-/m1/s1
InChIKeyUPBUENCMUYAWFT-ZCFIWIBFSA-N
XLogP1.90
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525758
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 8737778
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 8525701
1-(2-bromo-4-chlorophenoxy)-3-methylbutan-2-one
CID 78949293
[1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 42973290
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 16656830
[(2S)-pent-3-yn-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 98005192
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846065
(1-amino-3-methyl-1-oxobut-3-en-2-yl) 2-(2,4-dichlorophenoxy)acetate
CID 70373402
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854087

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate (CID 8525699) is [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate is C[C@@H](OC(=O)COc1ccc(Cl)cc1Br)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate?
The InChIKey is UPBUENCMUYAWFT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11BrClNO4/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-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate?
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate has a molecular weight of 336.57 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate is sourced from PubChem (CID 8525699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).