2-ethyl-2-(methoxymethylamino)propane-1,3-diol

C7H17NO3 — CID 20751108

IUPAC2-ethyl-2-(methoxymethylamino)propane-1,3-diol
SMILESCCC(CO)(CO)NCOC
InChIInChI=1S/C7H17NO3/c1-3-7(4-9,5-10)8-6-11-2/h8-10H,3-6H2,1-2H3
InChIKeyUAIFOTQVAVQWNX-UHFFFAOYSA-N
MW163.22 g/mol
LogP-0.69
Rot. Bonds6

About 2-ethyl-2-(methoxymethylamino)propane-1,3-diol

2-ethyl-2-(methoxymethylamino)propane-1,3-diol (PubChem CID 20751108) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-ethyl-2-(methoxymethylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(methoxymethylamino)propane-1,3-diol
PubChem CID20751108
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name2-ethyl-2-(methoxymethylamino)propane-1,3-diol
SMILESCCC(CO)(CO)NCOC
InChIInChI=1S/C7H17NO3/c1-3-7(4-9,5-10)8-6-11-2/h8-10H,3-6H2,1-2H3
InChIKeyUAIFOTQVAVQWNX-UHFFFAOYSA-N
XLogP-0.69
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methoxymethylamino)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(methoxymethylamino)propane-1,3-diol (CID 20751108) is 2-ethyl-2-(methoxymethylamino)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(methoxymethylamino)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(methoxymethylamino)propane-1,3-diol is CCC(CO)(CO)NCOC.
What is the InChIKey of 2-ethyl-2-(methoxymethylamino)propane-1,3-diol?
The InChIKey is UAIFOTQVAVQWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-3-7(4-9,5-10)8-6-11-2/h8-10H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-2-(methoxymethylamino)propane-1,3-diol?
2-ethyl-2-(methoxymethylamino)propane-1,3-diol has a molecular weight of 163.22 g/mol, XLogP of -0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methoxymethylamino)propane-1,3-diol is sourced from PubChem (CID 20751108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).