[4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid

C10H15BN2O4 — CID 71213155

IUPAC[4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid
SMILESO=C(CCO)NNCc1ccc(B(O)O)cc1
InChIInChI=1S/C10H15BN2O4/c14-6-5-10(15)13-12-7-8-1-3-9(4-2-8)11(16)17/h1-4,12,14,16-17H,5-7H2,(H,13,15)
InChIKeyZWFIPRPGLHYJSQ-UHFFFAOYSA-N
MW238.05 g/mol
LogP-2.13
Rot. Bonds6

About [4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid

[4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid (PubChem CID 71213155) has the molecular formula C10H15BN2O4 and a molecular weight of 238.05 g/mol. Its IUPAC name is [4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid
PubChem CID71213155
Molecular FormulaC10H15BN2O4
Molecular Weight238.05 g/mol
Exact Mass238.11
IUPAC Name[4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid
SMILESO=C(CCO)NNCc1ccc(B(O)O)cc1
InChIInChI=1S/C10H15BN2O4/c14-6-5-10(15)13-12-7-8-1-3-9(4-2-8)11(16)17/h1-4,12,14,16-17H,5-7H2,(H,13,15)
InChIKeyZWFIPRPGLHYJSQ-UHFFFAOYSA-N
XLogP-2.13
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.05
LogP ≤ 5-2.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-3-hydroxypropanamide
CID 115138976
[4-[(6-phenylhexanoylamino)methyl]phenyl]boronic acid
CID 127027217
N'-benzylhexadecanehydrazide
CID 154391297
[4-[[(4-fluorobenzoyl)amino]methyl]phenyl]boronic acid
CID 140784388
[4-(2-oxopropyl)phenyl]boronic acid
CID 74788275
18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide
CID 101321590
N'-(pyridin-4-ylmethyl)octadecanehydrazide
CID 154115968
[4-[(4-formylanilino)methyl]phenyl]boronic acid
CID 125469680
N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide
CID 54544701
[4-(3-methyl-2-oxobutyl)phenyl]boronic acid
CID 90365047
[4-(2-hydroxyacetyl)phenyl]boronic acid
CID 67818650
[(4-bromophenyl)methylamino]urea
CID 170288364

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid?
The IUPAC name of [4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid (CID 71213155) is [4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid.
What is the SMILES notation for [4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid?
The canonical SMILES for [4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid is O=C(CCO)NNCc1ccc(B(O)O)cc1.
What is the InChIKey of [4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid?
The InChIKey is ZWFIPRPGLHYJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BN2O4/c14-6-5-10(15)13-12-7-8-1-3-9(4-2-8)11(16)17/h1-4,12,14,16-17H,5-7H2,(H,13,15).
What are the key properties of [4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid?
[4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid has a molecular weight of 238.05 g/mol, XLogP of -2.13, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(3-hydroxypropanoyl)hydrazinyl]methyl]phenyl]boronic acid is sourced from PubChem (CID 71213155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).