2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid

C10H10BrNO4 — CID 107981467

IUPAC2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid
SMILESCc1cccc(C(=O)NOCC(=O)O)c1Br
InChIInChI=1S/C10H10BrNO4/c1-6-3-2-4-7(9(6)11)10(15)12-16-5-8(13)14/h2-4H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyIKDAUKHFFYCQOL-UHFFFAOYSA-N
MW288.10 g/mol
LogP1.50
Rot. Bonds4

About 2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid

2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid (PubChem CID 107981467) has the molecular formula C10H10BrNO4 and a molecular weight of 288.10 g/mol. Its IUPAC name is 2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid
PubChem CID107981467
Molecular FormulaC10H10BrNO4
Molecular Weight288.10 g/mol
Exact Mass286.98
IUPAC Name2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid
SMILESCc1cccc(C(=O)NOCC(=O)O)c1Br
InChIInChI=1S/C10H10BrNO4/c1-6-3-2-4-7(9(6)11)10(15)12-16-5-8(13)14/h2-4H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyIKDAUKHFFYCQOL-UHFFFAOYSA-N
XLogP1.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide
CID 166001059
2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
CID 106703070
2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid
CID 63914052
2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid
CID 114343359
ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
CID 103853398
3-[(2-bromo-3-methylbenzoyl)amino]pentanoic acid
CID 107981531
2-bromobenzene-1,3-dicarboxylic acid;2-bromo-1,3-dimethylbenzene
CID 167562654
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
2-bromo-N-(4-bromo-2-methylbutan-2-yl)-3-methylbenzamide
CID 107984046
amino 2-bromo-3-methylbenzoate
CID 174814289
2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide
CID 103855346
methyl 2-[(2-bromo-3-methylbenzoyl)amino]-4-methylpentanoate
CID 103852803

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid?
The IUPAC name of 2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid (CID 107981467) is 2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid is Cc1cccc(C(=O)NOCC(=O)O)c1Br.
What is the InChIKey of 2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid?
The InChIKey is IKDAUKHFFYCQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO4/c1-6-3-2-4-7(9(6)11)10(15)12-16-5-8(13)14/h2-4H,5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid?
2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid has a molecular weight of 288.10 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid is sourced from PubChem (CID 107981467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).