[2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate

C12H14BrNO5 — CID 7365593

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
SMILESCOCCNC(=O)COC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H14BrNO5/c1-18-5-4-14-11(16)7-19-12(17)9-6-8(13)2-3-10(9)15/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyGRDSTGRBPOJXFG-UHFFFAOYSA-N
MW332.15 g/mol
LogP1.07
Rot. Bonds6

About [2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate

[2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate (PubChem CID 7365593) has the molecular formula C12H14BrNO5 and a molecular weight of 332.15 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
PubChem CID7365593
Molecular FormulaC12H14BrNO5
Molecular Weight332.15 g/mol
Exact Mass331.01
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
SMILESCOCCNC(=O)COC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H14BrNO5/c1-18-5-4-14-11(16)7-19-12(17)9-6-8(13)2-3-10(9)15/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyGRDSTGRBPOJXFG-UHFFFAOYSA-N
XLogP1.07
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 2630341
[2-(2-methoxyethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837378
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525429
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 5-bromo-2-hydroxybenzoate
CID 9231171
[2-(2-methoxyethylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620148
[2-(butylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149205
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525432
[2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2504659
[2-(3-methylbutylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149206
[2-oxo-2-(pentylamino)ethyl] 2-amino-5-bromobenzoate
CID 8808804
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 2630367
[2-(2,3-dimethylanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7365657

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate (CID 7365593) is [2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate is COCCNC(=O)COC(=O)c1cc(Br)ccc1O.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
The InChIKey is GRDSTGRBPOJXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO5/c1-18-5-4-14-11(16)7-19-12(17)9-6-8(13)2-3-10(9)15/h2-3,6,15H,4-5,7H2,1H3,(H,14,16).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
[2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate has a molecular weight of 332.15 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate is sourced from PubChem (CID 7365593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).