boric acid;(hydroxymethylamino)methanol

C2H10BNO5 — CID 87833860

IUPACboric acid;(hydroxymethylamino)methanol
SMILESOB(O)O.OCNCO
InChIInChI=1S/C2H7NO2.BH3O3/c4-1-3-2-5;2-1(3)4/h3-5H,1-2H2;2-4H
InChIKeyPYICZGUEFBPRMA-UHFFFAOYSA-N
MW138.92 g/mol
LogP-3.58
Rot. Bonds2

About boric acid;(hydroxymethylamino)methanol

boric acid;(hydroxymethylamino)methanol (PubChem CID 87833860) has the molecular formula C2H10BNO5 and a molecular weight of 138.92 g/mol. Its IUPAC name is boric acid;(hydroxymethylamino)methanol.

Molecular Properties

Compound Nameboric acid;(hydroxymethylamino)methanol
PubChem CID87833860
Molecular FormulaC2H10BNO5
Molecular Weight138.92 g/mol
Exact Mass139.07
IUPAC Nameboric acid;(hydroxymethylamino)methanol
SMILESOB(O)O.OCNCO
InChIInChI=1S/C2H7NO2.BH3O3/c4-1-3-2-5;2-1(3)4/h3-5H,1-2H2;2-4H
InChIKeyPYICZGUEFBPRMA-UHFFFAOYSA-N
XLogP-3.58
TPSA113.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500138.92
LogP ≤ 5-3.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of boric acid;(hydroxymethylamino)methanol?
The IUPAC name of boric acid;(hydroxymethylamino)methanol (CID 87833860) is boric acid;(hydroxymethylamino)methanol.
What is the SMILES notation for boric acid;(hydroxymethylamino)methanol?
The canonical SMILES for boric acid;(hydroxymethylamino)methanol is OB(O)O.OCNCO.
What is the InChIKey of boric acid;(hydroxymethylamino)methanol?
The InChIKey is PYICZGUEFBPRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO2.BH3O3/c4-1-3-2-5;2-1(3)4/h3-5H,1-2H2;2-4H.
What are the key properties of boric acid;(hydroxymethylamino)methanol?
boric acid;(hydroxymethylamino)methanol has a molecular weight of 138.92 g/mol, XLogP of -3.58, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;(hydroxymethylamino)methanol is sourced from PubChem (CID 87833860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).