2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride

C6H19Cl4NO3 — CID 173373234

IUPAC2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride
SMILESCCOCC(N)(CO)CO.Cl.Cl.Cl.Cl
InChIInChI=1S/C6H15NO3.4ClH/c1-2-10-5-6(7,3-8)4-9;;;;/h8-9H,2-5,7H2,1H3;4*1H
InChIKeyHNKPFIYMJAOTQX-UHFFFAOYSA-N
MW295.03 g/mol
LogP0.39
Rot. Bonds5

About 2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride

2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride (PubChem CID 173373234) has the molecular formula C6H19Cl4NO3 and a molecular weight of 295.03 g/mol. Its IUPAC name is 2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride.

Molecular Properties

Compound Name2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride
PubChem CID173373234
Molecular FormulaC6H19Cl4NO3
Molecular Weight295.03 g/mol
Exact Mass293.01
IUPAC Name2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride
SMILESCCOCC(N)(CO)CO.Cl.Cl.Cl.Cl
InChIInChI=1S/C6H15NO3.4ClH/c1-2-10-5-6(7,3-8)4-9;;;;/h8-9H,2-5,7H2,1H3;4*1H
InChIKeyHNKPFIYMJAOTQX-UHFFFAOYSA-N
XLogP0.39
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.03
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate
CID 23243813
3-ethoxy-2,2-dimethylpropan-1-ol
CID 12698285
2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride
CID 19084655
2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride
CID 175534832
2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol
CID 174350180
3-(3-ethoxypropoxymethyl)pentan-3-amine
CID 65180813
[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate
CID 118105038
[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate
CID 130273883
ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 21464807
2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
CID 720755
CID 87493832
CID 87493832
ethoxyethane;hydroxylamine
CID 135816400

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride?
The IUPAC name of 2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride (CID 173373234) is 2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride.
What is the SMILES notation for 2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride?
The canonical SMILES for 2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride is CCOCC(N)(CO)CO.Cl.Cl.Cl.Cl.
What is the InChIKey of 2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride?
The InChIKey is HNKPFIYMJAOTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.4ClH/c1-2-10-5-6(7,3-8)4-9;;;;/h8-9H,2-5,7H2,1H3;4*1H.
What are the key properties of 2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride?
2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride has a molecular weight of 295.03 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride is sourced from PubChem (CID 173373234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).