[bis(hydroxymethyl)amino]methanol;hydrochloride

C3H10ClNO3 — CID 13228372

IUPAC[bis(hydroxymethyl)amino]methanol;hydrochloride
SMILESCl.OCN(CO)CO
InChIInChI=1S/C3H9NO3.ClH/c5-1-4(2-6)3-7;/h5-7H,1-3H2;1H
InChIKeyRSSHUWHSFGCSHG-UHFFFAOYSA-N
MW143.57 g/mol
LogP-1.44
Rot. Bonds3

About [bis(hydroxymethyl)amino]methanol;hydrochloride

[bis(hydroxymethyl)amino]methanol;hydrochloride (PubChem CID 13228372) has the molecular formula C3H10ClNO3 and a molecular weight of 143.57 g/mol. Its IUPAC name is [bis(hydroxymethyl)amino]methanol;hydrochloride.

Molecular Properties

Compound Name[bis(hydroxymethyl)amino]methanol;hydrochloride
PubChem CID13228372
Molecular FormulaC3H10ClNO3
Molecular Weight143.57 g/mol
Exact Mass143.03
IUPAC Name[bis(hydroxymethyl)amino]methanol;hydrochloride
SMILESCl.OCN(CO)CO
InChIInChI=1S/C3H9NO3.ClH/c5-1-4(2-6)3-7;/h5-7H,1-3H2;1H
InChIKeyRSSHUWHSFGCSHG-UHFFFAOYSA-N
XLogP-1.44
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.57
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [bis(hydroxymethyl)amino]methanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [bis(hydroxymethyl)amino]methanol;hydrochloride?
The IUPAC name of [bis(hydroxymethyl)amino]methanol;hydrochloride (CID 13228372) is [bis(hydroxymethyl)amino]methanol;hydrochloride.
What is the SMILES notation for [bis(hydroxymethyl)amino]methanol;hydrochloride?
The canonical SMILES for [bis(hydroxymethyl)amino]methanol;hydrochloride is Cl.OCN(CO)CO.
What is the InChIKey of [bis(hydroxymethyl)amino]methanol;hydrochloride?
The InChIKey is RSSHUWHSFGCSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3.ClH/c5-1-4(2-6)3-7;/h5-7H,1-3H2;1H.
What are the key properties of [bis(hydroxymethyl)amino]methanol;hydrochloride?
[bis(hydroxymethyl)amino]methanol;hydrochloride has a molecular weight of 143.57 g/mol, XLogP of -1.44, 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;hydrochloride is sourced from PubChem (CID 13228372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).