2-amino-2-(hydroxymethyl)propane-1,3-diol acetate

C6H14NO5- — CID 86612373

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol acetate
SMILESCC(=O)[O-].NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.C2H4O2/c5-4(1-6,2-7)3-8;1-2(3)4/h6-8H,1-3,5H2;1H3,(H,3,4)/p-1
InChIKeyPIEPQKCYPFFYMG-UHFFFAOYSA-M
MW180.18 g/mol
LogP-3.58
Rot. Bonds3

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

2-amino-2-(hydroxymethyl)propane-1,3-diol acetate (PubChem CID 86612373) has the molecular formula C6H14NO5- and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol acetate.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol acetate
PubChem CID86612373
Molecular FormulaC6H14NO5-
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol acetate
SMILESCC(=O)[O-].NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.C2H4O2/c5-4(1-6,2-7)3-8;1-2(3)4/h6-8H,1-3,5H2;1H3,(H,3,4)/p-1
InChIKeyPIEPQKCYPFFYMG-UHFFFAOYSA-M
XLogP-3.58
TPSA126.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-3.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol acetate?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol acetate (CID 86612373) is 2-amino-2-(hydroxymethyl)propane-1,3-diol acetate.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol acetate?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol acetate is CC(=O)[O-].NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol acetate?
The InChIKey is PIEPQKCYPFFYMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO3.C2H4O2/c5-4(1-6,2-7)3-8;1-2(3)4/h6-8H,1-3,5H2;1H3,(H,3,4)/p-1.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol acetate?
2-amino-2-(hydroxymethyl)propane-1,3-diol acetate has a molecular weight of 180.18 g/mol, XLogP of -3.58, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol acetate is sourced from PubChem (CID 86612373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).