2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium

C8H17BrNO4+ — CID 162508650

IUPAC2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium
SMILESO=C(CBr)OCC[NH+](CCO)CCO
InChIInChI=1S/C8H16BrNO4/c9-7-8(13)14-6-3-10(1-4-11)2-5-12/h11-12H,1-7H2/p+1
InChIKeyCOUZSNKLBJSCFV-UHFFFAOYSA-O
MW271.13 g/mol
LogP-2.21
Rot. Bonds8

About 2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium

2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium (PubChem CID 162508650) has the molecular formula C8H17BrNO4+ and a molecular weight of 271.13 g/mol. Its IUPAC name is 2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium
PubChem CID162508650
Molecular FormulaC8H17BrNO4+
Molecular Weight271.13 g/mol
Exact Mass270.03
IUPAC Name2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium
SMILESO=C(CBr)OCC[NH+](CCO)CCO
InChIInChI=1S/C8H16BrNO4/c9-7-8(13)14-6-3-10(1-4-11)2-5-12/h11-12H,1-7H2/p+1
InChIKeyCOUZSNKLBJSCFV-UHFFFAOYSA-O
XLogP-2.21
TPSA71.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[bis[2-(2-bromoacetyl)oxyethyl]amino]ethyl 2-bromoacetate
CID 163978517
2-[2-(2-bromoacetyl)oxyethyldisulfanyl]ethyl 2-bromoacetate
CID 139213482
tris(2-hydroxyethyl)azanium iodide
CID 87105413
tris[2-(2-methylpropanoyloxy)ethyl]azanium
CID 154048574
(2S)-2-amino-4-(2-bromoacetyl)oxybutanoic acid
CID 87990253
diethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium
CID 168757934
3-butoxypropyl 2-bromoacetate
CID 139661180
2-piperidin-1-ylethyl 2-bromoacetate
CID 162508900
2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride
CID 89232161
oct-3-ynyl 2-bromoacetate
CID 54084086
[3-bromo-2-[(2-bromoacetyl)oxymethyl]-2-(bromomethyl)propyl] 2-bromoacetate
CID 170775156
dimethylsulfanium;ethyl 2-bromoacetate
CID 22119103

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium?
The IUPAC name of 2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium (CID 162508650) is 2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium.
What is the SMILES notation for 2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium?
The canonical SMILES for 2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium is O=C(CBr)OCC[NH+](CCO)CCO.
What is the InChIKey of 2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium?
The InChIKey is COUZSNKLBJSCFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16BrNO4/c9-7-8(13)14-6-3-10(1-4-11)2-5-12/h11-12H,1-7H2/p+1.
What are the key properties of 2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium?
2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium has a molecular weight of 271.13 g/mol, XLogP of -2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoacetyl)oxyethyl-bis(2-hydroxyethyl)azanium is sourced from PubChem (CID 162508650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).