2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol

C6H16NO5P — CID 141320852

IUPAC2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol
SMILESCOP(=O)(CN(CO)CCO)OC
InChIInChI=1S/C6H16NO5P/c1-11-13(10,12-2)6-7(5-9)3-4-8/h8-9H,3-6H2,1-2H3
InChIKeySHBABNUWQLCBAR-UHFFFAOYSA-N
MW213.17 g/mol
LogP-0.33
Rot. Bonds7

About 2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol

2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol (PubChem CID 141320852) has the molecular formula C6H16NO5P and a molecular weight of 213.17 g/mol. Its IUPAC name is 2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol.

Molecular Properties

Compound Name2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol
PubChem CID141320852
Molecular FormulaC6H16NO5P
Molecular Weight213.17 g/mol
Exact Mass213.08
IUPAC Name2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol
SMILESCOP(=O)(CN(CO)CCO)OC
InChIInChI=1S/C6H16NO5P/c1-11-13(10,12-2)6-7(5-9)3-4-8/h8-9H,3-6H2,1-2H3
InChIKeySHBABNUWQLCBAR-UHFFFAOYSA-N
XLogP-0.33
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 93482131
2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol
CID 146917629
2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid
CID 160646043
2-[2-hydroxyethyl(5-methoxypentyl)amino]ethanol
CID 146845725
2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid
CID 19082538
methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 19426049
diazanium;2-[bis(phosphonatomethyl)amino]ethanol
CID 139597526
disodium;2-[2-hydroxyethyl(phosphonatomethyl)amino]ethanol;trihydrate
CID 139796493
2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol
CID 54431874
ethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate
CID 90013734
[bis(hydroxymethyl)amino]methanol;phosphoric acid
CID 158136077
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946

Frequently Asked Questions

What is the IUPAC name of 2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol?
The IUPAC name of 2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol (CID 141320852) is 2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol.
What is the SMILES notation for 2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol?
The canonical SMILES for 2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol is COP(=O)(CN(CO)CCO)OC.
What is the InChIKey of 2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol?
The InChIKey is SHBABNUWQLCBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO5P/c1-11-13(10,12-2)6-7(5-9)3-4-8/h8-9H,3-6H2,1-2H3.
What are the key properties of 2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol?
2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol has a molecular weight of 213.17 g/mol, XLogP of -0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol is sourced from PubChem (CID 141320852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).