2-[(2,5-dibromobenzoyl)-methylamino]acetic acid

C10H9Br2NO3 — CID 114367825

IUPAC2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H9Br2NO3/c1-13(5-9(14)15)10(16)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H,14,15)
InChIKeyBKLLHQOYIIVCSV-UHFFFAOYSA-N
MW350.99 g/mol
LogP2.37
Rot. Bonds3

About 2-[(2,5-dibromobenzoyl)-methylamino]acetic acid

2-[(2,5-dibromobenzoyl)-methylamino]acetic acid (PubChem CID 114367825) has the molecular formula C10H9Br2NO3 and a molecular weight of 350.99 g/mol. Its IUPAC name is 2-[(2,5-dibromobenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
PubChem CID114367825
Molecular FormulaC10H9Br2NO3
Molecular Weight350.99 g/mol
Exact Mass348.89
IUPAC Name2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H9Br2NO3/c1-13(5-9(14)15)10(16)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H,14,15)
InChIKeyBKLLHQOYIIVCSV-UHFFFAOYSA-N
XLogP2.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.99
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid
CID 82547324
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 114370914
2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
CID 114375651
2-[butan-2-yl-(2,5-dibromobenzoyl)amino]acetic acid
CID 114367924
2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 114368349
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 114370543
2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 114371641
2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 114372600
N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide
CID 107938956
2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968411

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dibromobenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2,5-dibromobenzoyl)-methylamino]acetic acid (CID 114367825) is 2-[(2,5-dibromobenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,5-dibromobenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2,5-dibromobenzoyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2-[(2,5-dibromobenzoyl)-methylamino]acetic acid?
The InChIKey is BKLLHQOYIIVCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO3/c1-13(5-9(14)15)10(16)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-[(2,5-dibromobenzoyl)-methylamino]acetic acid?
2-[(2,5-dibromobenzoyl)-methylamino]acetic acid has a molecular weight of 350.99 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dibromobenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 114367825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).