2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol

C5H13NO3 — CID 10164823

IUPAC2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol
SMILESCNC(CO)(CO)CO
InChIInChI=1S/C5H13NO3/c1-6-5(2-7,3-8)4-9/h6-9H,2-4H2,1H3
InChIKeyKIHOFAGVAMNMHH-UHFFFAOYSA-N
MW135.16 g/mol
LogP-2.08
Rot. Bonds4

About 2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol

2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol (PubChem CID 10164823) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol
PubChem CID10164823
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol
SMILESCNC(CO)(CO)CO
InChIInChI=1S/C5H13NO3/c1-6-5(2-7,3-8)4-9/h6-9H,2-4H2,1H3
InChIKeyKIHOFAGVAMNMHH-UHFFFAOYSA-N
XLogP-2.08
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol with MolForge

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

Launch Full Analysis

Related Compounds

2-(tert-Butylamino)ethanol
CID 78361
2-[(2-Hydroxyethyl)amino]-2-(hydroxymethyl)-1,3-propanediol
CID 81798
2-Methyl-2-methylamino-1-propanol
CID 422780
2-(Ethylamino)-2-methylpropan-1-ol
CID 15105174
2-((Hydroxymethyl)amino)-2-methylpropanol
CID 62014
2-(Methylamino)propane-1,3-diol
CID 20545753
2-Methyl-2-(propan-2-ylamino)propan-1-ol
CID 15105175
2-(Ethylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 1532701
2-[(2-Hydroxyethyl)amino]-2-methylpropan-1-ol
CID 2777768
3-Oxetanemethanol, 3-(methylamino)-
CID 73977883
[Tris(hydroxymethyl)methylamino]-propane
CID 15991582
2-[(2-Methoxyethyl)amino]-2-methylpropan-1-ol
CID 43416484

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol (CID 10164823) is 2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol is CNC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol?
The InChIKey is KIHOFAGVAMNMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3/c1-6-5(2-7,3-8)4-9/h6-9H,2-4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol?
2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol has a molecular weight of 135.16 g/mol, XLogP of -2.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol is sourced from PubChem (CID 10164823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).