tris(2-aminoethanol);2-chloroacetic acid

C8H24ClN3O5 — CID 22995154

IUPACtris(2-aminoethanol);2-chloroacetic acid
SMILESNCCO.NCCO.NCCO.O=C(O)CCl
InChIInChI=1S/C2H3ClO2.3C2H7NO/c3-1-2(4)5;3*3-1-2-4/h1H2,(H,4,5);3*4H,1-3H2
InChIKeySRNDJDFCNCMZKQ-UHFFFAOYSA-N
MW277.75 g/mol
LogP-2.88
Rot. Bonds4

About tris(2-aminoethanol);2-chloroacetic acid

tris(2-aminoethanol);2-chloroacetic acid (PubChem CID 22995154) has the molecular formula C8H24ClN3O5 and a molecular weight of 277.75 g/mol. Its IUPAC name is tris(2-aminoethanol);2-chloroacetic acid.

Molecular Properties

Compound Nametris(2-aminoethanol);2-chloroacetic acid
PubChem CID22995154
Molecular FormulaC8H24ClN3O5
Molecular Weight277.75 g/mol
Exact Mass277.14
IUPAC Nametris(2-aminoethanol);2-chloroacetic acid
SMILESNCCO.NCCO.NCCO.O=C(O)CCl
InChIInChI=1S/C2H3ClO2.3C2H7NO/c3-1-2(4)5;3*3-1-2-4/h1H2,(H,4,5);3*4H,1-3H2
InChIKeySRNDJDFCNCMZKQ-UHFFFAOYSA-N
XLogP-2.88
TPSA176.05 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.75
LogP ≤ 5-2.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(2-chloroacetic acid);ethane-1,2-diol
CID 71439919
2-aminoacetic acid;azane;2-chloroacetic acid
CID 174899372
2-aminoethanol;carbonyl dichloride
CID 174939144
nonaheptacontasodium;nonakis(2-chloroacetic acid)
CID 173182170
2-chloroacetic acid;silver
CID 87585147
2-chloroacetic acid;hexane-1,6-diol
CID 175199325
2-aminoacetic acid;2-aminoethanol;carbamic acid
CID 87253703
2-aminoethanol;dichloromethane;hydrate
CID 172994992
2-(15N)azanylethanol
CID 10329242
2-aminoethanol
CID 159229127
2-aminoethanol
CID 87375731
acetic acid;2-chloroacetic acid
CID 87108271

Frequently Asked Questions

What is the IUPAC name of tris(2-aminoethanol);2-chloroacetic acid?
The IUPAC name of tris(2-aminoethanol);2-chloroacetic acid (CID 22995154) is tris(2-aminoethanol);2-chloroacetic acid.
What is the SMILES notation for tris(2-aminoethanol);2-chloroacetic acid?
The canonical SMILES for tris(2-aminoethanol);2-chloroacetic acid is NCCO.NCCO.NCCO.O=C(O)CCl.
What is the InChIKey of tris(2-aminoethanol);2-chloroacetic acid?
The InChIKey is SRNDJDFCNCMZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClO2.3C2H7NO/c3-1-2(4)5;3*3-1-2-4/h1H2,(H,4,5);3*4H,1-3H2.
What are the key properties of tris(2-aminoethanol);2-chloroacetic acid?
tris(2-aminoethanol);2-chloroacetic acid has a molecular weight of 277.75 g/mol, XLogP of -2.88, 4 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-aminoethanol);2-chloroacetic acid is sourced from PubChem (CID 22995154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).