[bis(hydroxymethyl)amino]methanol

C3H9NO3 — CID 3014803

IUPAC[bis(hydroxymethyl)amino]methanol
SMILESOCN(CO)CO
InChIInChI=1S/C3H9NO3/c5-1-4(2-6)3-7/h5-7H,1-3H2
InChIKeyITBPIKUGMIZTJR-UHFFFAOYSA-N
MW107.11 g/mol
LogP-1.86
Rot. Bonds3

About [bis(hydroxymethyl)amino]methanol

[bis(hydroxymethyl)amino]methanol (PubChem CID 3014803) has the molecular formula C3H9NO3 and a molecular weight of 107.11 g/mol. Its IUPAC name is [bis(hydroxymethyl)amino]methanol.

Molecular Properties

Compound Name[bis(hydroxymethyl)amino]methanol
PubChem CID3014803
Molecular FormulaC3H9NO3
Molecular Weight107.11 g/mol
Exact Mass107.06
IUPAC Name[bis(hydroxymethyl)amino]methanol
SMILESOCN(CO)CO
InChIInChI=1S/C3H9NO3/c5-1-4(2-6)3-7/h5-7H,1-3H2
InChIKeyITBPIKUGMIZTJR-UHFFFAOYSA-N
XLogP-1.86
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 5-1.86
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 [bis(hydroxymethyl)amino]methanol?
The IUPAC name of [bis(hydroxymethyl)amino]methanol (CID 3014803) is [bis(hydroxymethyl)amino]methanol.
What is the SMILES notation for [bis(hydroxymethyl)amino]methanol?
The canonical SMILES for [bis(hydroxymethyl)amino]methanol is OCN(CO)CO.
What is the InChIKey of [bis(hydroxymethyl)amino]methanol?
The InChIKey is ITBPIKUGMIZTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3/c5-1-4(2-6)3-7/h5-7H,1-3H2.
What are the key properties of [bis(hydroxymethyl)amino]methanol?
[bis(hydroxymethyl)amino]methanol has a molecular weight of 107.11 g/mol, XLogP of -1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(hydroxymethyl)amino]methanol is sourced from PubChem (CID 3014803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).