2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine

C5H16N2O3 — CID 22256063

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine
SMILESCN.NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.CH5N/c5-4(1-6,2-7)3-8;1-2/h6-8H,1-3,5H2;2H2,1H3
InChIKeyCQQIVOUGVDPEDK-UHFFFAOYSA-N
MW152.19 g/mol
LogP-2.76
Rot. Bonds3

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine

2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine (PubChem CID 22256063) has the molecular formula C5H16N2O3 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine
PubChem CID22256063
Molecular FormulaC5H16N2O3
Molecular Weight152.19 g/mol
Exact Mass152.12
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine
SMILESCN.NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.CH5N/c5-4(1-6,2-7)3-8;1-2/h6-8H,1-3,5H2;2H2,1H3
InChIKeyCQQIVOUGVDPEDK-UHFFFAOYSA-N
XLogP-2.76
TPSA112.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 5-2.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine 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 2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine (CID 22256063) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine is CN.NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine?
The InChIKey is CQQIVOUGVDPEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3.CH5N/c5-4(1-6,2-7)3-8;1-2/h6-8H,1-3,5H2;2H2,1H3.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine?
2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine has a molecular weight of 152.19 g/mol, XLogP of -2.76, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;methanamine is sourced from PubChem (CID 22256063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).