[hydroxymethyl(methoxymethyl)amino]methanol

C4H11NO3 — CID 126705452

IUPAC[hydroxymethyl(methoxymethyl)amino]methanol
SMILESCOCN(CO)CO
InChIInChI=1S/C4H11NO3/c1-8-4-5(2-6)3-7/h6-7H,2-4H2,1H3
InChIKeyDUXVTLMXUQKKMV-UHFFFAOYSA-N
MW121.14 g/mol
LogP-1.21
Rot. Bonds4

About [hydroxymethyl(methoxymethyl)amino]methanol

[hydroxymethyl(methoxymethyl)amino]methanol (PubChem CID 126705452) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is [hydroxymethyl(methoxymethyl)amino]methanol.

Molecular Properties

Compound Name[hydroxymethyl(methoxymethyl)amino]methanol
PubChem CID126705452
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Name[hydroxymethyl(methoxymethyl)amino]methanol
SMILESCOCN(CO)CO
InChIInChI=1S/C4H11NO3/c1-8-4-5(2-6)3-7/h6-7H,2-4H2,1H3
InChIKeyDUXVTLMXUQKKMV-UHFFFAOYSA-N
XLogP-1.21
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
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 [hydroxymethyl(methoxymethyl)amino]methanol?
The IUPAC name of [hydroxymethyl(methoxymethyl)amino]methanol (CID 126705452) is [hydroxymethyl(methoxymethyl)amino]methanol.
What is the SMILES notation for [hydroxymethyl(methoxymethyl)amino]methanol?
The canonical SMILES for [hydroxymethyl(methoxymethyl)amino]methanol is COCN(CO)CO.
What is the InChIKey of [hydroxymethyl(methoxymethyl)amino]methanol?
The InChIKey is DUXVTLMXUQKKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3/c1-8-4-5(2-6)3-7/h6-7H,2-4H2,1H3.
What are the key properties of [hydroxymethyl(methoxymethyl)amino]methanol?
[hydroxymethyl(methoxymethyl)amino]methanol has a molecular weight of 121.14 g/mol, XLogP of -1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxymethyl(methoxymethyl)amino]methanol is sourced from PubChem (CID 126705452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).