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

C4H14Cl3NO3 — CID 19084655

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride
SMILESCl.Cl.Cl.NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.3ClH/c5-4(1-6,2-7)3-8;;;/h6-8H,1-3,5H2;3*1H
InChIKeyLWXNQQIVUUSCSL-UHFFFAOYSA-N
MW230.52 g/mol
LogP-1.07
Rot. Bonds3

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

2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride (PubChem CID 19084655) has the molecular formula C4H14Cl3NO3 and a molecular weight of 230.52 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride
PubChem CID19084655
Molecular FormulaC4H14Cl3NO3
Molecular Weight230.52 g/mol
Exact Mass229.00
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride
SMILESCl.Cl.Cl.NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.3ClH/c5-4(1-6,2-7)3-8;;;/h6-8H,1-3,5H2;3*1H
InChIKeyLWXNQQIVUUSCSL-UHFFFAOYSA-N
XLogP-1.07
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.52
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride (CID 19084655) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride is Cl.Cl.Cl.NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride?
The InChIKey is LWXNQQIVUUSCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3.3ClH/c5-4(1-6,2-7)3-8;;;/h6-8H,1-3,5H2;3*1H.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride?
2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride has a molecular weight of 230.52 g/mol, XLogP of -1.07, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride is sourced from PubChem (CID 19084655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).