N-(2-hydroxyethyl)-methylboronamidic acid

C3H10BNO2 — CID 59110557

IUPACN-(2-hydroxyethyl)-methylboronamidic acid
SMILESCB(O)NCCO
InChIInChI=1S/C3H10BNO2/c1-4(7)5-2-3-6/h5-7H,2-3H2,1H3
InChIKeyIGEWKBFJIJVVOH-UHFFFAOYSA-N
MW102.93 g/mol
LogP-1.32
Rot. Bonds3

About N-(2-hydroxyethyl)-methylboronamidic acid

N-(2-hydroxyethyl)-methylboronamidic acid (PubChem CID 59110557) has the molecular formula C3H10BNO2 and a molecular weight of 102.93 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-methylboronamidic acid.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-methylboronamidic acid
PubChem CID59110557
Molecular FormulaC3H10BNO2
Molecular Weight102.93 g/mol
Exact Mass103.08
IUPAC NameN-(2-hydroxyethyl)-methylboronamidic acid
SMILESCB(O)NCCO
InChIInChI=1S/C3H10BNO2/c1-4(7)5-2-3-6/h5-7H,2-3H2,1H3
InChIKeyIGEWKBFJIJVVOH-UHFFFAOYSA-N
XLogP-1.32
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.93
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid
CID 123589940
N-(3-aminopropyl)-methylboronamidic acid
CID 58781361
N-(6-hydroxy-5-methylhexyl)-methylboronamidic acid
CID 59798856
hexane-1,6-diol;2-(methylamino)ethanol
CID 18353571
2-(methylamino)ethanol;platinum
CID 174353574
2-(methylamino)ethanol;nobelium
CID 59962769
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
methane;2-(methylamino)ethanol
CID 158004537
2-(methylaminosulfanylamino)ethanol
CID 162390041
2-(ethylamino)ethanol
CID 170923531
2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol
CID 158071262
N-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid
CID 58093306

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-methylboronamidic acid?
The IUPAC name of N-(2-hydroxyethyl)-methylboronamidic acid (CID 59110557) is N-(2-hydroxyethyl)-methylboronamidic acid.
What is the SMILES notation for N-(2-hydroxyethyl)-methylboronamidic acid?
The canonical SMILES for N-(2-hydroxyethyl)-methylboronamidic acid is CB(O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-methylboronamidic acid?
The InChIKey is IGEWKBFJIJVVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10BNO2/c1-4(7)5-2-3-6/h5-7H,2-3H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-methylboronamidic acid?
N-(2-hydroxyethyl)-methylboronamidic acid has a molecular weight of 102.93 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-methylboronamidic acid is sourced from PubChem (CID 59110557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).