boric acid;ethyl carbamate

C3H10BNO5 — CID 161179489

IUPACboric acid;ethyl carbamate
SMILESCCOC(N)=O.OB(O)O
InChIInChI=1S/C3H7NO2.BH3O3/c1-2-6-3(4)5;2-1(3)4/h2H2,1H3,(H2,4,5);2-4H
InChIKeyUSGGROAYERNISR-UHFFFAOYSA-N
MW150.93 g/mol
LogP-1.95
Rot. Bonds1

About boric acid;ethyl carbamate

boric acid;ethyl carbamate (PubChem CID 161179489) has the molecular formula C3H10BNO5 and a molecular weight of 150.93 g/mol. Its IUPAC name is boric acid;ethyl carbamate.

Molecular Properties

Compound Nameboric acid;ethyl carbamate
PubChem CID161179489
Molecular FormulaC3H10BNO5
Molecular Weight150.93 g/mol
Exact Mass151.07
IUPAC Nameboric acid;ethyl carbamate
SMILESCCOC(N)=O.OB(O)O
InChIInChI=1S/C3H7NO2.BH3O3/c1-2-6-3(4)5;2-1(3)4/h2H2,1H3,(H2,4,5);2-4H
InChIKeyUSGGROAYERNISR-UHFFFAOYSA-N
XLogP-1.95
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.93
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of boric acid;ethyl carbamate?
The IUPAC name of boric acid;ethyl carbamate (CID 161179489) is boric acid;ethyl carbamate.
What is the SMILES notation for boric acid;ethyl carbamate?
The canonical SMILES for boric acid;ethyl carbamate is CCOC(N)=O.OB(O)O.
What is the InChIKey of boric acid;ethyl carbamate?
The InChIKey is USGGROAYERNISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.BH3O3/c1-2-6-3(4)5;2-1(3)4/h2H2,1H3,(H2,4,5);2-4H.
What are the key properties of boric acid;ethyl carbamate?
boric acid;ethyl carbamate has a molecular weight of 150.93 g/mol, XLogP of -1.95, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;ethyl carbamate is sourced from PubChem (CID 161179489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).