methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate

C11H12BrNO3 — CID 55207927

IUPACmethyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C11H12BrNO3/c1-16-11(15)7-13-10(14)6-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyZSVJATMUKZACSV-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.28
Rot. Bonds4

About methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate

methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate (PubChem CID 55207927) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
PubChem CID55207927
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Namemethyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C11H12BrNO3/c1-16-11(15)7-13-10(14)6-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyZSVJATMUKZACSV-UHFFFAOYSA-N
XLogP1.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995769
2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112997253
N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide
CID 114309938
2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169892
2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 112996725
methyl 2-[(3-bromophenyl)carbamoylamino]acetate
CID 108870222
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate (CID 55207927) is methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate is COC(=O)CNC(=O)Cc1cccc(Br)c1.
What is the InChIKey of methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate?
The InChIKey is ZSVJATMUKZACSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-16-11(15)7-13-10(14)6-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate?
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate has a molecular weight of 286.12 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate is sourced from PubChem (CID 55207927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).