2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid

C10H10BrNO4 — CID 63914052

IUPAC2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid
SMILESCc1cc(Br)ccc1C(=O)NOCC(=O)O
InChIInChI=1S/C10H10BrNO4/c1-6-4-7(11)2-3-8(6)10(15)12-16-5-9(13)14/h2-4H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyVYHZDCPVMSNISB-UHFFFAOYSA-N
MW288.10 g/mol
LogP1.50
Rot. Bonds4

About 2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid

2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid (PubChem CID 63914052) has the molecular formula C10H10BrNO4 and a molecular weight of 288.10 g/mol. Its IUPAC name is 2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid
PubChem CID63914052
Molecular FormulaC10H10BrNO4
Molecular Weight288.10 g/mol
Exact Mass286.98
IUPAC Name2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid
SMILESCc1cc(Br)ccc1C(=O)NOCC(=O)O
InChIInChI=1S/C10H10BrNO4/c1-6-4-7(11)2-3-8(6)10(15)12-16-5-9(13)14/h2-4H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyVYHZDCPVMSNISB-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

4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide
CID 165437737
2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid
CID 107981467
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate
CID 47257656
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]propanoate
CID 61344248
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
4-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 61287065
2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide
CID 112674277
N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride
CID 120507967
2-[2-[(4-bromo-2-methylbenzoyl)amino]ethylsulfanyl]acetic acid
CID 119242602
2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid
CID 166286482
4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63818565
methyl (2R)-2-[(4-bromo-2-methylbenzoyl)amino]-4,4,4-trifluorobutanoate
CID 100696495

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid?
The IUPAC name of 2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid (CID 63914052) is 2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid is Cc1cc(Br)ccc1C(=O)NOCC(=O)O.
What is the InChIKey of 2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid?
The InChIKey is VYHZDCPVMSNISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO4/c1-6-4-7(11)2-3-8(6)10(15)12-16-5-9(13)14/h2-4H,5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid?
2-[(4-bromo-2-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-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid is sourced from PubChem (CID 63914052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).