N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid

C5H14BNO3 — CID 123589940

IUPACN-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid
SMILESCB(O)NCCOCCO
InChIInChI=1S/C5H14BNO3/c1-6(9)7-2-4-10-5-3-8/h7-9H,2-5H2,1H3
InChIKeyOXGPALIMJISLIO-UHFFFAOYSA-N
MW146.98 g/mol
LogP-1.30
Rot. Bonds6

About N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid

N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid (PubChem CID 123589940) has the molecular formula C5H14BNO3 and a molecular weight of 146.98 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid
PubChem CID123589940
Molecular FormulaC5H14BNO3
Molecular Weight146.98 g/mol
Exact Mass147.11
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid
SMILESCB(O)NCCOCCO
InChIInChI=1S/C5H14BNO3/c1-6(9)7-2-4-10-5-3-8/h7-9H,2-5H2,1H3
InChIKeyOXGPALIMJISLIO-UHFFFAOYSA-N
XLogP-1.30
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.98
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-methylboronamidic acid
CID 59110557
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594890
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594464
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanol
CID 123132110
2-[2-(2-methylhydrazinyl)ethoxy]ethanol
CID 163916077
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
CID 159345993
CID 159345993
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylamino)ethanol
CID 19899992

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid (CID 123589940) is N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid is CB(O)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid?
The InChIKey is OXGPALIMJISLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14BNO3/c1-6(9)7-2-4-10-5-3-8/h7-9H,2-5H2,1H3.
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid?
N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid has a molecular weight of 146.98 g/mol, XLogP of -1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid is sourced from PubChem (CID 123589940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).